N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C28H35N5O3 — CID 58692637

IUPACN-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCCC(C)[C@@H](CO)Nc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1
InChIInChI=1S/C28H35N5O3/c1-3-19(2)25(18-34)31-26-9-7-8-23(30-26)21-16-24(28(36)29-17-21)32-27(35)20-10-12-22(13-11-20)33-14-5-4-6-15-33/h7-13,16-17,19,25,34H,3-6,14-15,18H2,1-2H3,(H,29,36)(H,30,31)(H,32,35)/t19?,25-/m1/s1
InChIKeyRLLOWGVMPNLXGS-OPEAARRCSA-N
MW489.62 g/mol
LogP4.50
Rot. Bonds9

About N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 58692637) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID58692637
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCCC(C)[C@@H](CO)Nc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1
InChIInChI=1S/C28H35N5O3/c1-3-19(2)25(18-34)31-26-9-7-8-23(30-26)21-16-24(28(36)29-17-21)32-27(35)20-10-12-22(13-11-20)33-14-5-4-6-15-33/h7-13,16-17,19,25,34H,3-6,14-15,18H2,1-2H3,(H,29,36)(H,30,31)(H,32,35)/t19?,25-/m1/s1
InChIKeyRLLOWGVMPNLXGS-OPEAARRCSA-N
XLogP4.50
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261360
N-[5-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 58692578
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
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-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158694746
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692546
N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158110780
N-[5-(4-amino-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(cyclopentylmethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(2-ethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(4-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 159062944
N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 58692574
N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261369

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of 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) is N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CCC(C)[C@@H](CO)Nc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.
What is the InChIKey of N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is RLLOWGVMPNLXGS-OPEAARRCSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-3-19(2)25(18-34)31-26-9-7-8-23(30-26)21-16-24(28(36)29-17-21)32-27(35)20-10-12-22(13-11-20)33-14-5-4-6-15-33/h7-13,16-17,19,25,34H,3-6,14-15,18H2,1-2H3,(H,29,36)(H,30,31)(H,32,35)/t19?,25-/m1/s1.
What are the key properties of N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 489.62 g/mol, XLogP of 4.50, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 58692637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).