6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide

C23H19ClFN5O — CID 146370849

IUPAC6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(Cn2ccnc2)cc(-c2ccc(F)cc2Cl)n1)c1ccccn1
InChIInChI=1S/C23H19ClFN5O/c1-15(20-4-2-3-7-27-20)28-23(31)22-11-16(13-30-9-8-26-14-30)10-21(29-22)18-6-5-17(25)12-19(18)24/h2-12,14-15H,13H2,1H3,(H,28,31)
InChIKeyFDNOUKNRKBXWJS-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.67
Rot. Bonds6

About 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide

6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide (PubChem CID 146370849) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
PubChem CID146370849
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC Name6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(Cn2ccnc2)cc(-c2ccc(F)cc2Cl)n1)c1ccccn1
InChIInChI=1S/C23H19ClFN5O/c1-15(20-4-2-3-7-27-20)28-23(31)22-11-16(13-30-9-8-26-14-30)10-21(29-22)18-6-5-17(25)12-19(18)24/h2-12,14-15H,13H2,1H3,(H,28,31)
InChIKeyFDNOUKNRKBXWJS-UHFFFAOYSA-N
XLogP4.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide (CID 146370849) is 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cc(Cn2ccnc2)cc(-c2ccc(F)cc2Cl)n1)c1ccccn1.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is FDNOUKNRKBXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c1-15(20-4-2-3-7-27-20)28-23(31)22-11-16(13-30-9-8-26-14-30)10-21(29-22)18-6-5-17(25)12-19(18)24/h2-12,14-15H,13H2,1H3,(H,28,31).
What are the key properties of 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide?
6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-4-(imidazol-1-ylmethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146370849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).