6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide

C19H29N3O2 — CID 109099778

IUPAC6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C19H29N3O2/c1-3-12-21(13-4-2)18(23)16-10-9-11-17(20-16)19(24)22-14-7-5-6-8-15-22/h9-11H,3-8,12-15H2,1-2H3
InChIKeyDQGRNHDWBAFAEN-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.36
Rot. Bonds6

About 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide

6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109099778) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109099778
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C19H29N3O2/c1-3-12-21(13-4-2)18(23)16-10-9-11-17(20-16)19(24)22-14-7-5-6-8-15-22/h9-11H,3-8,12-15H2,1-2H3
InChIKeyDQGRNHDWBAFAEN-UHFFFAOYSA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298477
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917

Frequently Asked Questions

What is the IUPAC name of 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide (CID 109099778) is 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCCCC2)n1.
What is the InChIKey of 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is DQGRNHDWBAFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-12-21(13-4-2)18(23)16-10-9-11-17(20-16)19(24)22-14-7-5-6-8-15-22/h9-11H,3-8,12-15H2,1-2H3.
What are the key properties of 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide?
6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109099778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).