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

C17H19N3O — CID 43575796

IUPAC[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNCc1ccc(C(=O)N2CCCC2c2cccnc2)cc1
InChIInChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)17(21)20-10-2-4-16(20)15-3-1-9-19-12-15/h1,3,5-9,12,16H,2,4,10-11,18H2
InChIKeySFZMIPWOVQGLOK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.52
Rot. Bonds3

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

[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 43575796) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID43575796
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNCc1ccc(C(=O)N2CCCC2c2cccnc2)cc1
InChIInChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)17(21)20-10-2-4-16(20)15-3-1-9-19-12-15/h1,3,5-9,12,16H,2,4,10-11,18H2
InChIKeySFZMIPWOVQGLOK-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
imidazo[1,2-a]pyridin-6-yl-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97149736
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874
(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-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 43575796) is [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is NCc1ccc(C(=O)N2CCCC2c2cccnc2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is SFZMIPWOVQGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)17(21)20-10-2-4-16(20)15-3-1-9-19-12-15/h1,3,5-9,12,16H,2,4,10-11,18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43575796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).