N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide

C20H23N5O2 — CID 146110445

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)cc2c1C
InChIInChI=1S/C20H23N5O2/c1-12-13(2)23-24-17-4-3-15(9-16(12)17)20(27)22-18-7-14(8-19(18)26)10-25-6-5-21-11-25/h3-6,9,11,14,18-19,26H,7-8,10H2,1-2H3,(H,22,27)/t14?,18-,19-/m1/s1
InChIKeyFHVNNQSVESTNAX-JDBFWQQPSA-N
MW365.44 g/mol
LogP2.01
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 146110445) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID146110445
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)cc2c1C
InChIInChI=1S/C20H23N5O2/c1-12-13(2)23-24-17-4-3-15(9-16(12)17)20(27)22-18-7-14(8-19(18)26)10-25-6-5-21-11-25/h3-6,9,11,14,18-19,26H,7-8,10H2,1-2H3,(H,22,27)/t14?,18-,19-/m1/s1
InChIKeyFHVNNQSVESTNAX-JDBFWQQPSA-N
XLogP2.01
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-4-(6-methylpyridazin-3-yl)benzamide
CID 146110356
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 146110268
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
CID 146110219
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 166286243
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146110168
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]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146110440
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
CID 146110527
2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 166303406
2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
CID 166286230
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 146110281

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide (CID 146110445) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)cc2c1C.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is FHVNNQSVESTNAX-JDBFWQQPSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-13(2)23-24-17-4-3-15(9-16(12)17)20(27)22-18-7-14(8-19(18)26)10-25-6-5-21-11-25/h3-6,9,11,14,18-19,26H,7-8,10H2,1-2H3,(H,22,27)/t14?,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 146110445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).