N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide

C19H18N4O2 — CID 110820488

IUPACN-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESN#Cc1cccc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C19H18N4O2/c20-13-14-2-1-3-16(12-14)19(25)23-10-6-17(7-11-23)22-18(24)15-4-8-21-9-5-15/h1-5,8-9,12,17H,6-7,10-11H2,(H,22,24)
InChIKeyNIPXSIZLUAFJKR-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.99
Rot. Bonds3

About N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 110820488) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID110820488
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESN#Cc1cccc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C19H18N4O2/c20-13-14-2-1-3-16(12-14)19(25)23-10-6-17(7-11-23)22-18(24)15-4-8-21-9-5-15/h1-5,8-9,12,17H,6-7,10-11H2,(H,22,24)
InChIKeyNIPXSIZLUAFJKR-UHFFFAOYSA-N
XLogP1.99
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 110820149
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
N-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-(3,3-dimethylbutanoylamino)pyrazine-2-carboxamide
CID 42866648
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide (CID 110820488) is N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide is N#Cc1cccc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1.
What is the InChIKey of N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is NIPXSIZLUAFJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-13-14-2-1-3-16(12-14)19(25)23-10-6-17(7-11-23)22-18(24)15-4-8-21-9-5-15/h1-5,8-9,12,17H,6-7,10-11H2,(H,22,24).
What are the key properties of N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 110820488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).