N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C20H20N4O — CID 109191648

IUPACN-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCc3ccncc3)cn2)c1
InChIInChI=1S/C20H20N4O/c1-14-9-15(2)11-18(10-14)24-20(25)19-4-3-17(13-23-19)22-12-16-5-7-21-8-6-16/h3-11,13,22H,12H2,1-2H3,(H,24,25)
InChIKeyRITWNLJXVGMSMT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

About N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191648) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191648
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCc3ccncc3)cn2)c1
InChIInChI=1S/C20H20N4O/c1-14-9-15(2)11-18(10-14)24-20(25)19-4-3-17(13-23-19)22-12-16-5-7-21-8-6-16/h3-11,13,22H,12H2,1-2H3,(H,24,25)
InChIKeyRITWNLJXVGMSMT-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184098
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
N-(2-ethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191680
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191648) is N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(NCc3ccncc3)cn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is RITWNLJXVGMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-9-15(2)11-18(10-14)24-20(25)19-4-3-17(13-23-19)22-12-16-5-7-21-8-6-16/h3-11,13,22H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).