2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide

C21H21FN4O3 — CID 166303406

IUPAC2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccnc(Oc2ccccc2F)c1
InChIInChI=1S/C21H21FN4O3/c22-16-3-1-2-4-19(16)29-20-11-15(5-6-24-20)21(28)25-17-9-14(10-18(17)27)12-26-8-7-23-13-26/h1-8,11,13-14,17-18,27H,9-10,12H2,(H,25,28)/t14?,17-,18-/m1/s1
InChIKeyKFZAFZXAOGKPGT-KNHHTTPFSA-N
MW396.42 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide

2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 166303406) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID166303406
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccnc(Oc2ccccc2F)c1
InChIInChI=1S/C21H21FN4O3/c22-16-3-1-2-4-19(16)29-20-11-15(5-6-24-20)21(28)25-17-9-14(10-18(17)27)12-26-8-7-23-13-26/h1-8,11,13-14,17-18,27H,9-10,12H2,(H,25,28)/t14?,17-,18-/m1/s1
InChIKeyKFZAFZXAOGKPGT-KNHHTTPFSA-N
XLogP2.78
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide (CID 166303406) is 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccnc(Oc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is KFZAFZXAOGKPGT-KNHHTTPFSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-16-3-1-2-4-19(16)29-20-11-15(5-6-24-20)21(28)25-17-9-14(10-18(17)27)12-26-8-7-23-13-26/h1-8,11,13-14,17-18,27H,9-10,12H2,(H,25,28)/t14?,17-,18-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 166303406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).