N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide

C20H17ClFN3O2 — CID 70953905

IUPACN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(CF)nc3C)ccc2Cl)nc1
InChIInChI=1S/C20H17ClFN3O2/c1-12-16(6-3-14(10-22)24-12)20(26)25-13-4-7-18(21)17(9-13)19-8-5-15(27-2)11-23-19/h3-9,11H,10H2,1-2H3,(H,25,26)
InChIKeyAGWZAVRHBBPKLJ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.84
Rot. Bonds5

About N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide

N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide (PubChem CID 70953905) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
PubChem CID70953905
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(CF)nc3C)ccc2Cl)nc1
InChIInChI=1S/C20H17ClFN3O2/c1-12-16(6-3-14(10-22)24-12)20(26)25-13-4-7-18(21)17(9-13)19-8-5-15(27-2)11-23-19/h3-9,11H,10H2,1-2H3,(H,25,26)
InChIKeyAGWZAVRHBBPKLJ-UHFFFAOYSA-N
XLogP4.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 163543504
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
N-(4-chloro-3-isoquinolin-1-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 70933882
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
CID 70797407
[3-chloro-4-[[4-chloro-3-(5-methoxycarbonyl-2-pyridinyl)phenyl]carbamoyl]phenyl]methyl sulfite
CID 174713766
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 58614772
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 86814397
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide (CID 70953905) is N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide is COc1ccc(-c2cc(NC(=O)c3ccc(CF)nc3C)ccc2Cl)nc1.
What is the InChIKey of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
The InChIKey is AGWZAVRHBBPKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-16(6-3-14(10-22)24-12)20(26)25-13-4-7-18(21)17(9-13)19-8-5-15(27-2)11-23-19/h3-9,11H,10H2,1-2H3,(H,25,26).
What are the key properties of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 70953905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).