N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide

C23H27N5O2 — CID 50842540

IUPACN-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)cn2)CC1
InChIInChI=1S/C23H27N5O2/c1-3-16(2)26-22(29)19-10-12-28(13-11-19)21-9-8-20(15-25-21)27-23(30)18-6-4-17(14-24)5-7-18/h4-9,15-16,19H,3,10-13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPRLQTPJZIVMMPM-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.34
Rot. Bonds6

About N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide

N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 50842540) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID50842540
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)cn2)CC1
InChIInChI=1S/C23H27N5O2/c1-3-16(2)26-22(29)19-10-12-28(13-11-19)21-9-8-20(15-25-21)27-23(30)18-6-4-17(14-24)5-7-18/h4-9,15-16,19H,3,10-13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPRLQTPJZIVMMPM-UHFFFAOYSA-N
XLogP3.34
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-1-[5-[(3,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
CID 50842392
N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
CID 46397110
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 16598548
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588287
1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 31615415
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide (CID 50842540) is N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)cn2)CC1.
What is the InChIKey of N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is PRLQTPJZIVMMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-16(2)26-22(29)19-10-12-28(13-11-19)21-9-8-20(15-25-21)27-23(30)18-6-4-17(14-24)5-7-18/h4-9,15-16,19H,3,10-13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide?
N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 50842540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).