N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide

C20H16ClN3O3 — CID 1088848

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H16ClN3O3/c1-27-18-11-14(23-19(25)13-5-4-10-22-12-13)8-9-17(18)24-20(26)15-6-2-3-7-16(15)21/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyWMEUXWNPVPBCNZ-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 1088848) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide
PubChem CID1088848
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H16ClN3O3/c1-27-18-11-14(23-19(25)13-5-4-10-22-12-13)8-9-17(18)24-20(26)15-6-2-3-7-16(15)21/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyWMEUXWNPVPBCNZ-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide (CID 1088848) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is WMEUXWNPVPBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-18-11-14(23-19(25)13-5-4-10-22-12-13)8-9-17(18)24-20(26)15-6-2-3-7-16(15)21/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1088848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).