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

C12H16N4O2 — CID 114326439

IUPAC2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CCCNC2=O)ccn1
InChIInChI=1S/C12H16N4O2/c13-7-9-6-8(3-5-14-9)11(17)16-10-2-1-4-15-12(10)18/h3,5-6,10H,1-2,4,7,13H2,(H,15,18)(H,16,17)
InChIKeySYPCSWXAPOHACO-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.45
Rot. Bonds3

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

2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 114326439) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
PubChem CID114326439
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CCCNC2=O)ccn1
InChIInChI=1S/C12H16N4O2/c13-7-9-6-8(3-5-14-9)11(17)16-10-2-1-4-15-12(10)18/h3,5-6,10H,1-2,4,7,13H2,(H,15,18)(H,16,17)
InChIKeySYPCSWXAPOHACO-UHFFFAOYSA-N
XLogP-0.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
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
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide (CID 114326439) is 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide is NCc1cc(C(=O)NC2CCCNC2=O)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is SYPCSWXAPOHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-7-9-6-8(3-5-14-9)11(17)16-10-2-1-4-15-12(10)18/h3,5-6,10H,1-2,4,7,13H2,(H,15,18)(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.45, 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-oxopiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114326439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).