2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide

C20H25N3O — CID 125155588

IUPAC2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)N[C@H](c1ccccc1)c1ccncc1)N1CCCC1
InChIInChI=1S/C20H25N3O/c1-20(2,23-14-6-7-15-23)19(24)22-18(16-8-4-3-5-9-16)17-10-12-21-13-11-17/h3-5,8-13,18H,6-7,14-15H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyISYUNZKKENCHBJ-GOSISDBHSA-N
MW323.44 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide

2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 125155588) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID125155588
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)N[C@H](c1ccccc1)c1ccncc1)N1CCCC1
InChIInChI=1S/C20H25N3O/c1-20(2,23-14-6-7-15-23)19(24)22-18(16-8-4-3-5-9-16)17-10-12-21-13-11-17/h3-5,8-13,18H,6-7,14-15H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyISYUNZKKENCHBJ-GOSISDBHSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[phenyl(pyridin-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 44765018
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131921884
2,2-dimethyl-3-[[phenyl(pyridin-4-yl)methyl]amino]propanoic acid
CID 79621337
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide (CID 125155588) is 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide is CC(C)(C(=O)N[C@H](c1ccccc1)c1ccncc1)N1CCCC1.
What is the InChIKey of 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is ISYUNZKKENCHBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O/c1-20(2,23-14-6-7-15-23)19(24)22-18(16-8-4-3-5-9-16)17-10-12-21-13-11-17/h3-5,8-13,18H,6-7,14-15H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 323.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 125155588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).