N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide

C20H16ClN3O3 — CID 1367983

IUPACN-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H16ClN3O3/c1-27-18-11-16(23-20(26)14-8-5-9-22-12-14)15(21)10-17(18)24-19(25)13-6-3-2-4-7-13/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyDDDVFSXMWLQPGE-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.25
Rot. Bonds5

About N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide

N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 1367983) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide
PubChem CID1367983
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H16ClN3O3/c1-27-18-11-16(23-20(26)14-8-5-9-22-12-14)15(21)10-17(18)24-19(25)13-6-3-2-4-7-13/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyDDDVFSXMWLQPGE-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-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide (CID 1367983) is N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DDDVFSXMWLQPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-18-11-16(23-20(26)14-8-5-9-22-12-14)15(21)10-17(18)24-19(25)13-6-3-2-4-7-13/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide?
N-(4-benzamido-2-chloro-5-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-benzamido-2-chloro-5-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1367983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).