N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide

C20H17ClFN3O2 — CID 139522073

IUPACN-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide
SMILESCC(O)c1ccc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)cn1
InChIInChI=1S/C20H17ClFN3O2/c1-12(26)18-6-4-15(11-23-18)20(27)25-19-7-3-14(10-24-19)8-13-2-5-17(22)16(21)9-13/h2-7,9-12,26H,8H2,1H3,(H,24,25,27)
InChIKeyOECFLGHNAGOMID-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.17
Rot. Bonds5

About N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide

N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 139522073) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide
PubChem CID139522073
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide
SMILESCC(O)c1ccc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)cn1
InChIInChI=1S/C20H17ClFN3O2/c1-12(26)18-6-4-15(11-23-18)20(27)25-19-7-3-14(10-24-19)8-13-2-5-17(22)16(21)9-13/h2-7,9-12,26H,8H2,1H3,(H,24,25,27)
InChIKeyOECFLGHNAGOMID-UHFFFAOYSA-N
XLogP4.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide (CID 139522073) is N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide is CC(O)c1ccc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)cn1.
What is the InChIKey of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is OECFLGHNAGOMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12(26)18-6-4-15(11-23-18)20(27)25-19-7-3-14(10-24-19)8-13-2-5-17(22)16(21)9-13/h2-7,9-12,26H,8H2,1H3,(H,24,25,27).
What are the key properties of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide?
N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-6-(1-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139522073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).