[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C16H18N4O — CID 114325684

IUPAC[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNCc1cc(C(=O)N2CCCC2c2cccnc2)ccn1
InChIInChI=1S/C16H18N4O/c17-10-14-9-12(5-7-19-14)16(21)20-8-2-4-15(20)13-3-1-6-18-11-13/h1,3,5-7,9,11,15H,2,4,8,10,17H2
InChIKeyOILUEMRNQPJLSQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.91
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 114325684) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID114325684
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNCc1cc(C(=O)N2CCCC2c2cccnc2)ccn1
InChIInChI=1S/C16H18N4O/c17-10-14-9-12(5-7-19-14)16(21)20-8-2-4-15(20)13-3-1-6-18-11-13/h1,3,5-7,9,11,15H,2,4,8,10,17H2
InChIKeyOILUEMRNQPJLSQ-UHFFFAOYSA-N
XLogP1.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
CID 113277721
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(2-amino-1,3-benzothiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155494071
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 114325684) is [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is NCc1cc(C(=O)N2CCCC2c2cccnc2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is OILUEMRNQPJLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-10-14-9-12(5-7-19-14)16(21)20-8-2-4-15(20)13-3-1-6-18-11-13/h1,3,5-7,9,11,15H,2,4,8,10,17H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114325684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).