N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide

C20H18ClN3O2 — CID 113033566

IUPACN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(Cl)cc3C)cn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-13-10-15(21)6-8-18(13)23-16-7-9-19(22-12-16)24-20(25)14-4-3-5-17(11-14)26-2/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyXFCVQADQBRNMHL-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.05
Rot. Bonds5

About N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide

N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113033566) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
PubChem CID113033566
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(Cl)cc3C)cn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-13-10-15(21)6-8-18(13)23-16-7-9-19(22-12-16)24-20(25)14-4-3-5-17(11-14)26-2/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyXFCVQADQBRNMHL-UHFFFAOYSA-N
XLogP5.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
2-N-(4-chloro-2-methylphenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092938

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide (CID 113033566) is N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(Cl)cc3C)cn2)c1.
What is the InChIKey of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is XFCVQADQBRNMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-10-15(21)6-8-18(13)23-16-7-9-19(22-12-16)24-20(25)14-4-3-5-17(11-14)26-2/h3-12,23H,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide?
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 367.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113033566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).