N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide

C22H22FN3O — CID 109169978

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NCCc3ccccc3F)ccn2)cc1
InChIInChI=1S/C22H22FN3O/c1-16-6-8-17(9-7-16)15-26-21-14-19(11-12-24-21)22(27)25-13-10-18-4-2-3-5-20(18)23/h2-9,11-12,14H,10,13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyBPPMCXNDEBGQAL-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109169978) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109169978
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NCCc3ccccc3F)ccn2)cc1
InChIInChI=1S/C22H22FN3O/c1-16-6-8-17(9-7-16)15-26-21-14-19(11-12-24-21)22(27)25-13-10-18-4-2-3-5-20(18)23/h2-9,11-12,14H,10,13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyBPPMCXNDEBGQAL-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide (CID 109169978) is N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)NCCc3ccccc3F)ccn2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is BPPMCXNDEBGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-16-6-8-17(9-7-16)15-26-21-14-19(11-12-24-21)22(27)25-13-10-18-4-2-3-5-20(18)23/h2-9,11-12,14H,10,13,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109169978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).