(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide

C28H29N5O3 — CID 15949606

IUPAC(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCOc1ncccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1C
InChIInChI=1S/C28H29N5O3/c1-32-23-13-6-5-12-22(23)30-25(32)15-16-26(34)33-18-8-14-24(33)27(35)31-21-11-4-3-9-19(21)20-10-7-17-29-28(20)36-2/h3-7,9-13,17,24H,8,14-16,18H2,1-2H3,(H,31,35)/t24-/m0/s1
InChIKeyHEEZPCDKJFHHNG-DEOSSOPVSA-N
MW483.57 g/mol
LogP4.21
Rot. Bonds7

About (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 15949606) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID15949606
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCOc1ncccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1C
InChIInChI=1S/C28H29N5O3/c1-32-23-13-6-5-12-22(23)30-25(32)15-16-26(34)33-18-8-14-24(33)27(35)31-21-11-4-3-9-19(21)20-10-7-17-29-28(20)36-2/h3-7,9-13,17,24H,8,14-16,18H2,1-2H3,(H,31,35)/t24-/m0/s1
InChIKeyHEEZPCDKJFHHNG-DEOSSOPVSA-N
XLogP4.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 15949233
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 15949784
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 24961854
1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 119908763
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(3-oxo-2-phenylinden-1-yl)pyrrolidine-2-carboxamide
CID 15949963
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
CID 78798763
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
CID 15949789
1-butanoyl-N-isoquinolin-1-ylpyrrolidine-2-carboxamide
CID 126824073

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide (CID 15949606) is (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide is COc1ncccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1C.
What is the InChIKey of (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is HEEZPCDKJFHHNG-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-32-23-13-6-5-12-22(23)30-25(32)15-16-26(34)33-18-8-14-24(33)27(35)31-21-11-4-3-9-19(21)20-10-7-17-29-28(20)36-2/h3-7,9-13,17,24H,8,14-16,18H2,1-2H3,(H,31,35)/t24-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15949606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).