5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide

C23H26N4O3 — CID 134128240

IUPAC5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide
SMILESCC(C)C(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cn2)C1
InChIInChI=1S/C23H26N4O3/c1-14(2)21(28)25-16-9-10-17(12-16)27(3)23(29)19-11-8-15(13-24-19)22-26-18-6-4-5-7-20(18)30-22/h4-8,11,13-14,16-17H,9-10,12H2,1-3H3,(H,25,28)/t16-,17+/m0/s1
InChIKeyJENUVEHFNSAETL-DLBZAZTESA-N
MW406.49 g/mol
LogP3.66
Rot. Bonds5

About 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide

5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide (PubChem CID 134128240) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide
PubChem CID134128240
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide
SMILESCC(C)C(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cn2)C1
InChIInChI=1S/C23H26N4O3/c1-14(2)21(28)25-16-9-10-17(12-16)27(3)23(29)19-11-8-15(13-24-19)22-26-18-6-4-5-7-20(18)30-22/h4-8,11,13-14,16-17H,9-10,12H2,1-3H3,(H,25,28)/t16-,17+/m0/s1
InChIKeyJENUVEHFNSAETL-DLBZAZTESA-N
XLogP3.66
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide (CID 134128240) is 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide is CC(C)C(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cn2)C1.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide?
The InChIKey is JENUVEHFNSAETL-DLBZAZTESA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)21(28)25-16-9-10-17(12-16)27(3)23(29)19-11-8-15(13-24-19)22-26-18-6-4-5-7-20(18)30-22/h4-8,11,13-14,16-17H,9-10,12H2,1-3H3,(H,25,28)/t16-,17+/m0/s1.
What are the key properties of 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide?
5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R,3S)-3-(2-methylpropanoylamino)cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 134128240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).