N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide

C21H20FN3O — CID 100734440

IUPACN-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C)c1)[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H20FN3O/c1-3-25(21(26)17-11-13-23-15(2)14-17)20(19-6-4-5-12-24-19)16-7-9-18(22)10-8-16/h4-14,20H,3H2,1-2H3/t20-/m0/s1
InChIKeyZXXCEERZVFZFTM-FQEVSTJZSA-N
MW349.41 g/mol
LogP4.18
Rot. Bonds5

About N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide

N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide (PubChem CID 100734440) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide
PubChem CID100734440
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C)c1)[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H20FN3O/c1-3-25(21(26)17-11-13-23-15(2)14-17)20(19-6-4-5-12-24-19)16-7-9-18(22)10-8-16/h4-14,20H,3H2,1-2H3/t20-/m0/s1
InChIKeyZXXCEERZVFZFTM-FQEVSTJZSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide (CID 100734440) is N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide is CCN(C(=O)c1ccnc(C)c1)[C@@H](c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide?
The InChIKey is ZXXCEERZVFZFTM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-3-25(21(26)17-11-13-23-15(2)14-17)20(19-6-4-5-12-24-19)16-7-9-18(22)10-8-16/h4-14,20H,3H2,1-2H3/t20-/m0/s1.
What are the key properties of N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide?
N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 100734440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).