N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide

C21H20FN3O2 — CID 109170550

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-4-16(5-9-19)13-24-20-12-17(10-11-23-20)21(26)25-14-15-2-6-18(22)7-3-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyOFKDMPZWVAAKDA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.77
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109170550) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109170550
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-4-16(5-9-19)13-24-20-12-17(10-11-23-20)21(26)25-14-15-2-6-18(22)7-3-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyOFKDMPZWVAAKDA-UHFFFAOYSA-N
XLogP3.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
2-[(4-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169599
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171310
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
N-(2,6-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171299
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
methyl 3-[[2-[(4-fluorophenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109170694

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide (CID 109170550) is N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide is COc1ccc(CNc2cc(C(=O)NCc3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is OFKDMPZWVAAKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-8-4-16(5-9-19)13-24-20-12-17(10-11-23-20)21(26)25-14-15-2-6-18(22)7-3-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).