1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H31N5O2 — CID 110229655

IUPAC1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C(C)n2ccnc2)C1
InChIInChI=1S/C26H31N5O2/c1-19(2)29-25(33)26(9-13-30(17-26)24(32)20(3)31-14-12-28-18-31)16-21-5-4-6-23(15-21)22-7-10-27-11-8-22/h4-8,10-12,14-15,18-20H,9,13,16-17H2,1-3H3,(H,29,33)
InChIKeyFKZHFJAWMPVWHI-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.49
Rot. Bonds7

About 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110229655) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110229655
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C(C)n2ccnc2)C1
InChIInChI=1S/C26H31N5O2/c1-19(2)29-25(33)26(9-13-30(17-26)24(32)20(3)31-14-12-28-18-31)16-21-5-4-6-23(15-21)22-7-10-27-11-8-22/h4-8,10-12,14-15,18-20H,9,13,16-17H2,1-3H3,(H,29,33)
InChIKeyFKZHFJAWMPVWHI-UHFFFAOYSA-N
XLogP3.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(4-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110229728
N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229653
(3S)-1-benzoyl-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579643
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563
(3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592175
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579617
(3S)-3-[(3-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92579934
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676
(3S)-1-(4-aminobenzoyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579902
(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805760

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110229655) is 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C(C)n2ccnc2)C1.
What is the InChIKey of 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FKZHFJAWMPVWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19(2)29-25(33)26(9-13-30(17-26)24(32)20(3)31-14-12-28-18-31)16-21-5-4-6-23(15-21)22-7-10-27-11-8-22/h4-8,10-12,14-15,18-20H,9,13,16-17H2,1-3H3,(H,29,33).
What are the key properties of 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylpropanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).