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

CID 4463
CID 4463
CID 9500
CID 9500
CID 50922681
CID 50922681
CID 3059529
CID 3059529
CID 453331
CID 453331
CID 70169
CID 70169
CID 10850461
CID 10850461
CID 112029
CID 112029
CID 72347
CID 72347
CID 453243
CID 453243
CID 453251
CID 453251
CID 453254
CID 453254

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).