1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide

C12H16N4O2 — CID 113277721

IUPAC1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNCc1cc(C(=O)N2CCCC2C(N)=O)ccn1
InChIInChI=1S/C12H16N4O2/c13-7-9-6-8(3-4-15-9)12(18)16-5-1-2-10(16)11(14)17/h3-4,6,10H,1-2,5,7,13H2,(H2,14,17)
InChIKeyRTVWUWQKIPXAER-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.37
Rot. Bonds3

About 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide

1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 113277721) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID113277721
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNCc1cc(C(=O)N2CCCC2C(N)=O)ccn1
InChIInChI=1S/C12H16N4O2/c13-7-9-6-8(3-4-15-9)12(18)16-5-1-2-10(16)11(14)17/h3-4,6,10H,1-2,5,7,13H2,(H2,14,17)
InChIKeyRTVWUWQKIPXAER-UHFFFAOYSA-N
XLogP-0.37
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
[2-(aminomethyl)-4-pyridinyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 114326800
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 114326014
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742890
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 103765202
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
1-[3-(3-aminoprop-1-ynyl)benzoyl]pyrrolidine-2-carboxamide
CID 60822366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide (CID 113277721) is 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide is NCc1cc(C(=O)N2CCCC2C(N)=O)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is RTVWUWQKIPXAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-7-9-6-8(3-4-15-9)12(18)16-5-1-2-10(16)11(14)17/h3-4,6,10H,1-2,5,7,13H2,(H2,14,17).
What are the key properties of 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide?
1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 113277721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).