N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide

C22H20ClN3O3 — CID 66553142

IUPACN-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ccccn2)c1
InChIInChI=1S/C22H20ClN3O3/c1-26(22(28)15-7-5-9-17(13-15)29-2)14-16-8-6-10-18(23)20(16)25-21(27)19-11-3-4-12-24-19/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyWSKIHUJRIZOOMO-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.27
Rot. Bonds6

About N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide

N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 66553142) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID66553142
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ccccn2)c1
InChIInChI=1S/C22H20ClN3O3/c1-26(22(28)15-7-5-9-17(13-15)29-2)14-16-8-6-10-18(23)20(16)25-21(27)19-11-3-4-12-24-19/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyWSKIHUJRIZOOMO-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide
CID 70702238
N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 70702231
N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide
CID 70702246
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide (CID 66553142) is N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide is COc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is WSKIHUJRIZOOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-26(22(28)15-7-5-9-17(13-15)29-2)14-16-8-6-10-18(23)20(16)25-21(27)19-11-3-4-12-24-19/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide?
N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).