N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide

C20H23N3O2 — CID 131936206

IUPACN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C20H23N3O2/c1-15-14-17(20(25)23-12-2-3-13-23)5-6-18(15)22-19(24)7-4-16-8-10-21-11-9-16/h5-6,8-11,14H,2-4,7,12-13H2,1H3,(H,22,24)
InChIKeyINFRLUSCNHNBGV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.20
Rot. Bonds5

About N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide (PubChem CID 131936206) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
PubChem CID131936206
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C20H23N3O2/c1-15-14-17(20(25)23-12-2-3-13-23)5-6-18(15)22-19(24)7-4-16-8-10-21-11-9-16/h5-6,8-11,14H,2-4,7,12-13H2,1H3,(H,22,24)
InChIKeyINFRLUSCNHNBGV-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrazol-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 131890072
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 131949462
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119759904
4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 107264616
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide (CID 131936206) is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCc1ccncc1.
What is the InChIKey of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide?
The InChIKey is INFRLUSCNHNBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-14-17(20(25)23-12-2-3-13-23)5-6-18(15)22-19(24)7-4-16-8-10-21-11-9-16/h5-6,8-11,14H,2-4,7,12-13H2,1H3,(H,22,24).
What are the key properties of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide?
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 131936206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).