6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide

C20H17ClN4O2 — CID 109098179

IUPAC6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C20H17ClN4O2/c1-13-8-9-14(21)11-18(13)25-20(27)17-7-4-6-16(24-17)19(26)23-12-15-5-2-3-10-22-15/h2-11H,12H2,1H3,(H,23,26)(H,25,27)
InChIKeyYBODKFMFRZEPNQ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.62
Rot. Bonds5

About 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098179) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098179
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C20H17ClN4O2/c1-13-8-9-14(21)11-18(13)25-20(27)17-7-4-6-16(24-17)19(26)23-12-15-5-2-3-10-22-15/h2-11H,12H2,1H3,(H,23,26)(H,25,27)
InChIKeyYBODKFMFRZEPNQ-UHFFFAOYSA-N
XLogP3.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349631
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
6-N-(4-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097465
N-(5-chloro-2-methylphenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094861

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098179) is 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is YBODKFMFRZEPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-8-9-14(21)11-18(13)25-20(27)17-7-4-6-16(24-17)19(26)23-12-15-5-2-3-10-22-15/h2-11H,12H2,1H3,(H,23,26)(H,25,27).
What are the key properties of 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).