6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide

C19H30N4O — CID 119530538

IUPAC6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCNC1
InChIInChI=1S/C19H30N4O/c1-2-11-23(17-9-10-20-15-17)19(24)16-7-8-18(21-14-16)22-12-5-3-4-6-13-22/h7-8,14,17,20H,2-6,9-13,15H2,1H3
InChIKeyVSKYIILBWOPMLE-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.68
Rot. Bonds5

About 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide

6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide (PubChem CID 119530538) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
PubChem CID119530538
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCNC1
InChIInChI=1S/C19H30N4O/c1-2-11-23(17-9-10-20-15-17)19(24)16-7-8-18(21-14-16)22-12-5-3-4-6-13-22/h7-8,14,17,20H,2-6,9-13,15H2,1H3
InChIKeyVSKYIILBWOPMLE-UHFFFAOYSA-N
XLogP2.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
6-imidazol-1-yl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119825756
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 75469156
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide (CID 119530538) is 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide is CCCN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCNC1.
What is the InChIKey of 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The InChIKey is VSKYIILBWOPMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-11-23(17-9-10-20-15-17)19(24)16-7-8-18(21-14-16)22-12-5-3-4-6-13-22/h7-8,14,17,20H,2-6,9-13,15H2,1H3.
What are the key properties of 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119530538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).