N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C25H27N5O2 — CID 11718919

IUPACN-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2cccc(NC3CC3)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
InChIKeySZLUNZPKVMPWTA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.25
Rot. Bonds6

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

N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 11718919) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID11718919
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2cccc(NC3CC3)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
InChIKeySZLUNZPKVMPWTA-UHFFFAOYSA-N
XLogP4.25
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

BPKDi
CID 46901383
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
N-{5-[2-(Methylamino)pyrimidin-4-Yl]-2-Oxo-1,2-Dihydropyridin-3-Yl}-4-(Piperidin-1-Yl)benzamide
CID 52936531
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67465189
6-((S)-7-Acryloylamino-5-aza-spiro[2.4]hept-5-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038240
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
8-[butyl(ethyl)amino]-4-(4-acetyl-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 24768343
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 11718919) is N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is O=C(Nc1cc(-c2cccc(NC3CC3)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is SZLUNZPKVMPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31).
What are the key properties of N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(cyclopropylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 11718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).