3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide

C19H26N4O2 — CID 146110487

IUPAC3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
SMILESCc1cc(CCC(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc(C)n1
InChIInChI=1S/C19H26N4O2/c1-13-7-15(8-14(2)21-13)3-4-19(25)22-17-9-16(10-18(17)24)11-23-6-5-20-12-23/h5-8,12,16-18,24H,3-4,9-11H2,1-2H3,(H,22,25)/t16?,17-,18-/m1/s1
InChIKeyHHVBJIIJMJFKNJ-UKKPGEIXSA-N
MW342.44 g/mol
LogP1.78
Rot. Bonds6

About 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide

3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide (PubChem CID 146110487) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
PubChem CID146110487
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
SMILESCc1cc(CCC(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc(C)n1
InChIInChI=1S/C19H26N4O2/c1-13-7-15(8-14(2)21-13)3-4-19(25)22-17-9-16(10-18(17)24)11-23-6-5-20-12-23/h5-8,12,16-18,24H,3-4,9-11H2,1-2H3,(H,22,25)/t16?,17-,18-/m1/s1
InChIKeyHHVBJIIJMJFKNJ-UKKPGEIXSA-N
XLogP1.78
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146153989
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide
CID 154800108
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146110440
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 146110234
3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146110184
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 167800069
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 146110281
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 146110356
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110207

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide (CID 146110487) is 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide is Cc1cc(CCC(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The InChIKey is HHVBJIIJMJFKNJ-UKKPGEIXSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-7-15(8-14(2)21-13)3-4-19(25)22-17-9-16(10-18(17)24)11-23-6-5-20-12-23/h5-8,12,16-18,24H,3-4,9-11H2,1-2H3,(H,22,25)/t16?,17-,18-/m1/s1.
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide is sourced from PubChem (CID 146110487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).