N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

C22H22FN3O2 — CID 109213989

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C22H22FN3O2/c1-15-7-8-21(28-2)19(13-15)26-17-10-12-24-20(14-17)22(27)25-11-9-16-5-3-4-6-18(16)23/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFPCMSGPIYQOULU-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (PubChem CID 109213989) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
PubChem CID109213989
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C22H22FN3O2/c1-15-7-8-21(28-2)19(13-15)26-17-10-12-24-20(14-17)22(27)25-11-9-16-5-3-4-6-18(16)23/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFPCMSGPIYQOULU-UHFFFAOYSA-N
XLogP4.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109211667
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214065
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209990
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-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (CID 109213989) is N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is COc1ccc(C)cc1Nc1ccnc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The InChIKey is FPCMSGPIYQOULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-7-8-21(28-2)19(13-15)26-17-10-12-24-20(14-17)22(27)25-11-9-16-5-3-4-6-18(16)23/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109213989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).