1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide

C21H23N5O2 — CID 121496561

IUPAC1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(-c2cccc(C(=O)NCCN3CCCC(C(N)=O)C3)c2)n1
InChIInChI=1S/C21H23N5O2/c22-13-18-7-2-8-19(25-18)15-4-1-5-16(12-15)21(28)24-9-11-26-10-3-6-17(14-26)20(23)27/h1-2,4-5,7-8,12,17H,3,6,9-11,14H2,(H2,23,27)(H,24,28)
InChIKeyWAKYKSBGEXLRCE-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.55
Rot. Bonds6

About 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide

1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 121496561) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
PubChem CID121496561
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(-c2cccc(C(=O)NCCN3CCCC(C(N)=O)C3)c2)n1
InChIInChI=1S/C21H23N5O2/c22-13-18-7-2-8-19(25-18)15-4-1-5-16(12-15)21(28)24-9-11-26-10-3-6-17(14-26)20(23)27/h1-2,4-5,7-8,12,17H,3,6,9-11,14H2,(H2,23,27)(H,24,28)
InChIKeyWAKYKSBGEXLRCE-UHFFFAOYSA-N
XLogP1.55
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 86703912
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide (CID 121496561) is 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide is N#Cc1cccc(-c2cccc(C(=O)NCCN3CCCC(C(N)=O)C3)c2)n1.
What is the InChIKey of 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is WAKYKSBGEXLRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-13-18-7-2-8-19(25-18)15-4-1-5-16(12-15)21(28)24-9-11-26-10-3-6-17(14-26)20(23)27/h1-2,4-5,7-8,12,17H,3,6,9-11,14H2,(H2,23,27)(H,24,28).
What are the key properties of 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 121496561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).