(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide

C18H25N5O — CID 95353407

IUPAC(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
SMILESN#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(N)=O)CC2)nc1
InChIInChI=1S/C18H25N5O/c19-12-14-5-6-17(21-13-14)22-10-7-15(8-11-22)16-4-2-1-3-9-23(16)18(20)24/h5-6,13,15-16H,1-4,7-11H2,(H2,20,24)/t16-/m0/s1
InChIKeyGEHPCXNIBCGCRQ-INIZCTEOSA-N
MW327.43 g/mol
LogP2.49
Rot. Bonds2

About (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide

(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide (PubChem CID 95353407) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
PubChem CID95353407
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
SMILESN#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(N)=O)CC2)nc1
InChIInChI=1S/C18H25N5O/c19-12-14-5-6-17(21-13-14)22-10-7-15(8-11-22)16-4-2-1-3-9-23(16)18(20)24/h5-6,13,15-16H,1-4,7-11H2,(H2,20,24)/t16-/m0/s1
InChIKeyGEHPCXNIBCGCRQ-INIZCTEOSA-N
XLogP2.49
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
(2S)-2-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]azepane-1-carboxamide
CID 95336773
6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 95579184
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
2-(1-quinazolin-4-ylpiperidin-4-yl)azepane-1-carboxamide
CID 56803836
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide?
The IUPAC name of (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide (CID 95353407) is (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide.
What is the SMILES notation for (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide?
The canonical SMILES for (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide is N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(N)=O)CC2)nc1.
What is the InChIKey of (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide?
The InChIKey is GEHPCXNIBCGCRQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c19-12-14-5-6-17(21-13-14)22-10-7-15(8-11-22)16-4-2-1-3-9-23(16)18(20)24/h5-6,13,15-16H,1-4,7-11H2,(H2,20,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide?
(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide is sourced from PubChem (CID 95353407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).