(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide

C19H23N3O2 — CID 10881916

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@]2(C)CCCN2c2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(10-3-13-22(19)16-8-11-20-12-9-16)18(23)21-14-15-4-6-17(24-2)7-5-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyOJYIQGPIQVXJPU-IBGZPJMESA-N
MW325.41 g/mol
LogP2.77
Rot. Bonds5

About (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide (PubChem CID 10881916) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide
PubChem CID10881916
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@]2(C)CCCN2c2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(10-3-13-22(19)16-8-11-20-12-9-16)18(23)21-14-15-4-6-17(24-2)7-5-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyOJYIQGPIQVXJPU-IBGZPJMESA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide
CID 10894098
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087326
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
(3S)-1-(4-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087327
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide (CID 10881916) is (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide is COc1ccc(CNC(=O)[C@]2(C)CCCN2c2ccncc2)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is OJYIQGPIQVXJPU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(10-3-13-22(19)16-8-11-20-12-9-16)18(23)21-14-15-4-6-17(24-2)7-5-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10881916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).