1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide

C20H18N4O2 — CID 720149

IUPAC1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)n1
InChIInChI=1S/C20H18N4O2/c1-13-6-3-10-17(21-13)23-19(25)15-8-5-9-16(12-15)20(26)24-18-11-4-7-14(2)22-18/h3-12H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyNATVKKXERQXPEP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.60
Rot. Bonds4

About 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide (PubChem CID 720149) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide
PubChem CID720149
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)n1
InChIInChI=1S/C20H18N4O2/c1-13-6-3-10-17(21-13)23-19(25)15-8-5-9-16(12-15)20(26)24-18-11-4-7-14(2)22-18/h3-12H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyNATVKKXERQXPEP-UHFFFAOYSA-N
XLogP3.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide (CID 720149) is 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)n1.
What is the InChIKey of 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide?
The InChIKey is NATVKKXERQXPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-6-3-10-17(21-13)23-19(25)15-8-5-9-16(12-15)20(26)24-18-11-4-7-14(2)22-18/h3-12H,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 720149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).