N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide

C19H13Cl2N3O3 — CID 54422123

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1C(=O)c1ccccn1
InChIInChI=1S/C19H13Cl2N3O3/c1-27-16-6-5-11(8-12(16)18(25)15-4-2-3-7-23-15)19(26)24-17-13(20)9-22-10-14(17)21/h2-10H,1H3,(H,22,24,26)
InChIKeyWBOFWQMZHOGBOP-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.28
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide

N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide (PubChem CID 54422123) has the molecular formula C19H13Cl2N3O3 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
PubChem CID54422123
Molecular FormulaC19H13Cl2N3O3
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1C(=O)c1ccccn1
InChIInChI=1S/C19H13Cl2N3O3/c1-27-16-6-5-11(8-12(16)18(25)15-4-2-3-7-23-15)19(26)24-17-13(20)9-22-10-14(17)21/h2-10H,1H3,(H,22,24,26)
InChIKeyWBOFWQMZHOGBOP-UHFFFAOYSA-N
XLogP4.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(2-methylprop-1-enyl)benzamide
CID 54167545
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-pentan-3-yloxybenzamide
CID 21187925
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435
4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide
CID 58065673

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide (CID 54422123) is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1C(=O)c1ccccn1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide?
The InChIKey is WBOFWQMZHOGBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3/c1-27-16-6-5-11(8-12(16)18(25)15-4-2-3-7-23-15)19(26)24-17-13(20)9-22-10-14(17)21/h2-10H,1H3,(H,22,24,26).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide has a molecular weight of 402.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide is sourced from PubChem (CID 54422123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).