2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide

C11H15N5O2 — CID 114195190

IUPAC2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1N1CCCNC(=O)C1
InChIInChI=1S/C11H15N5O2/c12-9-4-7(11(13)18)8(5-15-9)16-3-1-2-14-10(17)6-16/h4-5H,1-3,6H2,(H2,12,15)(H2,13,18)(H,14,17)
InChIKeyWJHWQXNTGRXLMP-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.91
Rot. Bonds2

About 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide

2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide (PubChem CID 114195190) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide
PubChem CID114195190
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1N1CCCNC(=O)C1
InChIInChI=1S/C11H15N5O2/c12-9-4-7(11(13)18)8(5-15-9)16-3-1-2-14-10(17)6-16/h4-5H,1-3,6H2,(H2,12,15)(H2,13,18)(H,14,17)
InChIKeyWJHWQXNTGRXLMP-UHFFFAOYSA-N
XLogP-0.91
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(3-oxo-1,4-diazepan-1-yl)benzamide
CID 65363963
4-amino-2-(3-oxo-1,4-diazepan-1-yl)benzoic acid
CID 65364013
3-amino-2-(3-oxo-1,4-diazepan-1-yl)benzamide
CID 112579159
2-(3-oxo-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875826
4-(5-amino-3-bromoquinolin-8-yl)-1,4-diazepan-2-one
CID 106949452
2-amino-5-(2-cyanomorpholin-4-yl)pyridine-4-carboxamide
CID 114195238
4-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 65363741
4-(2-acetyl-4-bromophenyl)-1,4-diazepan-2-one
CID 82966585
5-chloro-6-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carboxylic acid
CID 65363492
4-(5-aminoquinolin-8-yl)-1,4-diazepan-2-one
CID 65361499
1-(3-oxo-1,4-diazepan-1-yl)isoquinoline-4-carboxylic acid
CID 106767184
2-nitro-3-(3-oxo-1,4-diazepan-1-yl)benzoic acid
CID 115542529

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide (CID 114195190) is 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide is NC(=O)c1cc(N)ncc1N1CCCNC(=O)C1.
What is the InChIKey of 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide?
The InChIKey is WJHWQXNTGRXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-9-4-7(11(13)18)8(5-15-9)16-3-1-2-14-10(17)6-16/h4-5H,1-3,6H2,(H2,12,15)(H2,13,18)(H,14,17).
What are the key properties of 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide?
2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114195190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).