2-(1,4-diazepan-1-yl)pyridine-3-carboxamide

C11H16N4O — CID 16793315

IUPAC2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCCNCC1
InChIInChI=1S/C11H16N4O/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2,(H2,12,16)
InChIKeyYQMIQSUMYBZKFY-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.02
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide

2-(1,4-diazepan-1-yl)pyridine-3-carboxamide (PubChem CID 16793315) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
PubChem CID16793315
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCCNCC1
InChIInChI=1S/C11H16N4O/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2,(H2,12,16)
InChIKeyYQMIQSUMYBZKFY-UHFFFAOYSA-N
XLogP-0.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
ethyl 4-oxo-4-(2-piperazin-1-yl-3-pyridinyl)butanoate
CID 59511269
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157359647
2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 166195430

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide (CID 16793315) is 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is YQMIQSUMYBZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2,(H2,12,16).
What are the key properties of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 16793315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).