N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C20H25N3O2 — CID 87010188

IUPACN-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C20H25N3O2/c1-3-13-25-19-14-15(2)6-7-17(19)22-20(24)23-12-4-5-18(23)16-8-10-21-11-9-16/h6-11,14,18H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyVTLDSLNBUVNIJC-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.55
Rot. Bonds5

About N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 87010188) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID87010188
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C20H25N3O2/c1-3-13-25-19-14-15(2)6-7-17(19)22-20(24)23-12-4-5-18(23)16-8-10-21-11-9-16/h6-11,14,18H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyVTLDSLNBUVNIJC-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 97063433
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
2-(2,4-dimethylphenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86920438
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 60562617
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 87010188) is N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCCOc1cc(C)ccc1NC(=O)N1CCCC1c1ccncc1.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is VTLDSLNBUVNIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-13-25-19-14-15(2)6-7-17(19)22-20(24)23-12-4-5-18(23)16-8-10-21-11-9-16/h6-11,14,18H,3-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 87010188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).