2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide

C20H17ClN4O2 — CID 109097921

IUPAC2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C20H17ClN4O2/c21-15-9-7-14(8-10-15)12-23-19(26)17-5-3-6-18(25-17)20(27)24-13-16-4-1-2-11-22-16/h1-11H,12-13H2,(H,23,26)(H,24,27)
InChIKeySKDYMVYXIFKPNX-UHFFFAOYSA-N
MW380.84 g/mol
LogP2.99
Rot. Bonds6

About 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109097921) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109097921
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C20H17ClN4O2/c21-15-9-7-14(8-10-15)12-23-19(26)17-5-3-6-18(25-17)20(27)24-13-16-4-1-2-11-22-16/h1-11H,12-13H2,(H,23,26)(H,24,27)
InChIKeySKDYMVYXIFKPNX-UHFFFAOYSA-N
XLogP2.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411
2-N-[(4-chlorophenyl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093837
6-(cyclopropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 84570874
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109097921) is 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is O=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is SKDYMVYXIFKPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-9-7-14(8-10-15)12-23-19(26)17-5-3-6-18(25-17)20(27)24-13-16-4-1-2-11-22-16/h1-11H,12-13H2,(H,23,26)(H,24,27).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 380.84 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).