(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

C19H23N5O — CID 95629024

IUPAC(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H23N5O/c1-14(2)18-21-8-10-23(18)13-17-7-4-9-24(17)19(25)22-16-6-3-5-15(11-16)12-20/h3,5-6,8,10-11,14,17H,4,7,9,13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyDZFDUMBDMDWAHM-KRWDZBQOSA-N
MW337.43 g/mol
LogP3.57
Rot. Bonds4

About (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 95629024) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID95629024
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H23N5O/c1-14(2)18-21-8-10-23(18)13-17-7-4-9-24(17)19(25)22-16-6-3-5-15(11-16)12-20/h3,5-6,8,10-11,14,17H,4,7,9,13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyDZFDUMBDMDWAHM-KRWDZBQOSA-N
XLogP3.57
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058
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3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]benzonitrile
CID 163353351
(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 95330957
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
(3aS,6aR)-2-[[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122076565

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (CID 95629024) is (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is CC(C)c1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is DZFDUMBDMDWAHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14(2)18-21-8-10-23(18)13-17-7-4-9-24(17)19(25)22-16-6-3-5-15(11-16)12-20/h3,5-6,8,10-11,14,17H,4,7,9,13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95629024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).