N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

C22H22FN3O — CID 109210289

IUPACN-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccnc(C(=O)NCCc3ccccc3F)c2)c1
InChIInChI=1S/C22H22FN3O/c1-16-5-4-6-17(13-16)15-26-19-10-12-24-21(14-19)22(27)25-11-9-18-7-2-3-8-20(18)23/h2-8,10,12-14H,9,11,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyPUKCFFSXJDMPPQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109210289) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109210289
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccnc(C(=O)NCCc3ccccc3F)c2)c1
InChIInChI=1S/C22H22FN3O/c1-16-5-4-6-17(13-16)15-26-19-10-12-24-21(14-19)22(27)25-11-9-18-7-2-3-8-20(18)23/h2-8,10,12-14H,9,11,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyPUKCFFSXJDMPPQ-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]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214096
4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109213974

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109210289) is N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1cccc(CNc2ccnc(C(=O)NCCc3ccccc3F)c2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is PUKCFFSXJDMPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-16-5-4-6-17(13-16)15-26-19-10-12-24-21(14-19)22(27)25-11-9-18-7-2-3-8-20(18)23/h2-8,10,12-14H,9,11,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-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]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109210289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).