N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C25H29N7O2 — CID 58692574

IUPACN-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2cc(NC3CCNC3)ncn2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H29N7O2/c33-24(17-4-6-20(7-5-17)32-10-2-1-3-11-32)31-22-12-18(14-27-25(22)34)21-13-23(29-16-28-21)30-19-8-9-26-15-19/h4-7,12-14,16,19,26H,1-3,8-11,15H2,(H,27,34)(H,31,33)(H,28,29,30)
InChIKeyUXNDBONEYUVSLR-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.85
Rot. Bonds6

About N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 58692574) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID58692574
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC NameN-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2cc(NC3CCNC3)ncn2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H29N7O2/c33-24(17-4-6-20(7-5-17)32-10-2-1-3-11-32)31-22-12-18(14-27-25(22)34)21-13-23(29-16-28-21)30-19-8-9-26-15-19/h4-7,12-14,16,19,26H,1-3,8-11,15H2,(H,27,34)(H,31,33)(H,28,29,30)
InChIKeyUXNDBONEYUVSLR-UHFFFAOYSA-N
XLogP2.85
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261371
N-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261390
N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261405
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158694746
N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261360
N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253
N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261369
N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158110780
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337
N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 58692637

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 58692574) is N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is O=C(Nc1cc(-c2cc(NC3CCNC3)ncn2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is UXNDBONEYUVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c33-24(17-4-6-20(7-5-17)32-10-2-1-3-11-32)31-22-12-18(14-27-25(22)34)21-13-23(29-16-28-21)30-19-8-9-26-15-19/h4-7,12-14,16,19,26H,1-3,8-11,15H2,(H,27,34)(H,31,33)(H,28,29,30).
What are the key properties of N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 459.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 58692574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).