4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile

C19H20N4O — CID 109241313

IUPAC4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cncc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C19H20N4O/c20-12-15-5-7-17(8-6-15)22-18-11-16(13-21-14-18)19(24)23-9-3-1-2-4-10-23/h5-8,11,13-14,22H,1-4,9-10H2
InChIKeyFSFUYBRUSRPTMP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.71
Rot. Bonds3

About 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile

4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile (PubChem CID 109241313) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
PubChem CID109241313
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cncc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C19H20N4O/c20-12-15-5-7-17(8-6-15)22-18-11-16(13-21-14-18)19(24)23-9-3-1-2-4-10-23/h5-8,11,13-14,22H,1-4,9-10H2
InChIKeyFSFUYBRUSRPTMP-UHFFFAOYSA-N
XLogP3.71
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109225681
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile (CID 109241313) is 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile is N#Cc1ccc(Nc2cncc(C(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The InChIKey is FSFUYBRUSRPTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-12-15-5-7-17(8-6-15)22-18-11-16(13-21-14-18)19(24)23-9-3-1-2-4-10-23/h5-8,11,13-14,22H,1-4,9-10H2.
What are the key properties of 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109241313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).