N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide

C19H23N3O — CID 124751214

IUPACN-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc([C@H](NC(=O)CN2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C19H23N3O/c1-15-4-6-16(7-5-15)19(17-8-10-20-11-9-17)21-18(23)14-22-12-2-3-13-22/h4-11,19H,2-3,12-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyGAQNGPSDVGHZHA-IBGZPJMESA-N
MW309.41 g/mol
LogP2.69
Rot. Bonds5

About N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide

N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 124751214) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID124751214
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc([C@H](NC(=O)CN2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C19H23N3O/c1-15-4-6-16(7-5-15)19(17-8-10-20-11-9-17)21-18(23)14-22-12-2-3-13-22/h4-11,19H,2-3,12-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyGAQNGPSDVGHZHA-IBGZPJMESA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 92556031
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 131896793
1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide
CID 50965643
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 95209344
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide (CID 124751214) is N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide is Cc1ccc([C@H](NC(=O)CN2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GAQNGPSDVGHZHA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-4-6-16(7-5-15)19(17-8-10-20-11-9-17)21-18(23)14-22-12-2-3-13-22/h4-11,19H,2-3,12-14H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide?
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 309.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 124751214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).