N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide

C89H95N23O9 — CID 157311678

IUPACN-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide
SMILESCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C4=CCNCC4)cc3)c2)ncn1.CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCCN4CCNCC4)cc3)c2)n1.CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)n1.O=C(Nc1cc(-c2ccccn2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H28N6O3.C22H22N6O2.C22H22N4O2.C21H23N7O2/c1-25-22-4-2-3-20(28-22)18-15-21(24(32)27-16-18)29-23(31)17-5-7-19(8-6-17)33-14-13-30-11-9-26-10-12-30;1-23-20-11-18(26-13-27-20)17-10-19(22(30)25-12-17)28-21(29)16-4-2-14(3-5-16)15-6-8-24-9-7-15;27-21(16-7-9-18(10-8-16)26-12-4-1-5-13-26)25-20-14-17(15-24-22(20)28)19-6-2-3-11-23-19;1-22-19-13-24-12-18(26-19)15-10-17(21(30)25-11-15)27-20(29)14-2-4-16(5-3-14)28-8-6-23-7-9-28/h2-8,15-16,26H,9-14H2,1H3,(H,25,28)(H,27,32)(H,29,31);2-6,10-13,24H,7-9H2,1H3,(H,25,30)(H,28,29)(H,23,26,27);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,28)(H,25,27);2-5,10-13,23H,6-9H2,1H3,(H,22,26)(H,25,30)(H,27,29)
InChIKeyBDCOHCORLKVRJI-UHFFFAOYSA-N
MW1630.89 g/mol
LogP9.73
Rot. Bonds22

About N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide

N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide (PubChem CID 157311678) has the molecular formula C89H95N23O9 and a molecular weight of 1630.89 g/mol. Its IUPAC name is N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide
PubChem CID157311678
Molecular FormulaC89H95N23O9
Molecular Weight1630.89 g/mol
Exact Mass1629.77
IUPAC NameN-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide
SMILESCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C4=CCNCC4)cc3)c2)ncn1.CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCCN4CCNCC4)cc3)c2)n1.CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)n1.O=C(Nc1cc(-c2ccccn2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H28N6O3.C22H22N6O2.C22H22N4O2.C21H23N7O2/c1-25-22-4-2-3-20(28-22)18-15-21(24(32)27-16-18)29-23(31)17-5-7-19(8-6-17)33-14-13-30-11-9-26-10-12-30;1-23-20-11-18(26-13-27-20)17-10-19(22(30)25-12-17)28-21(29)16-4-2-14(3-5-16)15-6-8-24-9-7-15;27-21(16-7-9-18(10-8-16)26-12-4-1-5-13-26)25-20-14-17(15-24-22(20)28)19-6-2-3-11-23-19;1-22-19-13-24-12-18(26-19)15-10-17(21(30)25-11-15)27-20(29)14-2-4-16(5-3-14)28-8-6-23-7-9-28/h2-8,15-16,26H,9-14H2,1H3,(H,25,28)(H,27,32)(H,29,31);2-6,10-13,24H,7-9H2,1H3,(H,25,30)(H,28,29)(H,23,26,27);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,28)(H,25,27);2-5,10-13,23H,6-9H2,1H3,(H,22,26)(H,25,30)(H,27,29)
InChIKeyBDCOHCORLKVRJI-UHFFFAOYSA-N
XLogP9.73
TPSA416.31 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001630.89
LogP ≤ 59.73
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide (CID 157311678) is N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide is CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C4=CCNCC4)cc3)c2)ncn1.CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCCN4CCNCC4)cc3)c2)n1.CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)n1.O=C(Nc1cc(-c2ccccn2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
The InChIKey is BDCOHCORLKVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3.C22H22N6O2.C22H22N4O2.C21H23N7O2/c1-25-22-4-2-3-20(28-22)18-15-21(24(32)27-16-18)29-23(31)17-5-7-19(8-6-17)33-14-13-30-11-9-26-10-12-30;1-23-20-11-18(26-13-27-20)17-10-19(22(30)25-12-17)28-21(29)16-4-2-14(3-5-16)15-6-8-24-9-7-15;27-21(16-7-9-18(10-8-16)26-12-4-1-5-13-26)25-20-14-17(15-24-22(20)28)19-6-2-3-11-23-19;1-22-19-13-24-12-18(26-19)15-10-17(21(30)25-11-15)27-20(29)14-2-4-16(5-3-14)28-8-6-23-7-9-28/h2-8,15-16,26H,9-14H2,1H3,(H,25,28)(H,27,32)(H,29,31);2-6,10-13,24H,7-9H2,1H3,(H,25,30)(H,28,29)(H,23,26,27);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,28)(H,25,27);2-5,10-13,23H,6-9H2,1H3,(H,22,26)(H,25,30)(H,27,29).
What are the key properties of N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide has a molecular weight of 1630.89 g/mol, XLogP of 9.73, 22 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide;N-[5-[6-(methylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide;N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;N-(2-oxo-5-pyridin-2-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 157311678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).