2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide

C13H18N4O2 — CID 114325785

IUPAC2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CCCCNC2=O)ccn1
InChIInChI=1S/C13H18N4O2/c14-8-10-7-9(4-6-15-10)12(18)17-11-3-1-2-5-16-13(11)19/h4,6-7,11H,1-3,5,8,14H2,(H,16,19)(H,17,18)
InChIKeyUIYDKGVSRNYLDC-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.06
Rot. Bonds3

About 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide (PubChem CID 114325785) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
PubChem CID114325785
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CCCCNC2=O)ccn1
InChIInChI=1S/C13H18N4O2/c14-8-10-7-9(4-6-15-10)12(18)17-11-3-1-2-5-16-13(11)19/h4,6-7,11H,1-3,5,8,14H2,(H,16,19)(H,17,18)
InChIKeyUIYDKGVSRNYLDC-UHFFFAOYSA-N
XLogP-0.06
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125017627
2-[(2-methoxyphenyl)methyl]-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 110090697
2-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125023469
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 56817220
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide (CID 114325785) is 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide is NCc1cc(C(=O)NC2CCCCNC2=O)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide?
The InChIKey is UIYDKGVSRNYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-8-10-7-9(4-6-15-10)12(18)17-11-3-1-2-5-16-13(11)19/h4,6-7,11H,1-3,5,8,14H2,(H,16,19)(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114325785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).