4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide

C21H19ClN4O3 — CID 78893033

IUPAC4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)NCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-17(18)26-20(27)15-7-9-16(10-8-15)25-21(28)24-13-14-6-11-19(22)23-12-14/h2-12H,13H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyWZAQPWDJIGDJNZ-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.32
Rot. Bonds6

About 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide

4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 78893033) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID78893033
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)NCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-17(18)26-20(27)15-7-9-16(10-8-15)25-21(28)24-13-14-6-11-19(22)23-12-14/h2-12H,13H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyWZAQPWDJIGDJNZ-UHFFFAOYSA-N
XLogP4.32
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide
CID 2344102
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
1-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(2-phenylphenoxy)methyl]phenyl]urea
CID 88907391
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide
CID 119050113
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide (CID 78893033) is 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)NCc2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is WZAQPWDJIGDJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-17(18)26-20(27)15-7-9-16(10-8-15)25-21(28)24-13-14-6-11-19(22)23-12-14/h2-12H,13H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide?
4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 410.86 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 78893033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).