4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

C21H20N4O2 — CID 109085686

IUPAC4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(C(=O)NCc3cccnc3)c2)c1
InChIInChI=1S/C21H20N4O2/c1-15-4-2-5-16(10-15)13-24-20(26)18-7-9-23-19(11-18)21(27)25-14-17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDUYWKBBHYUZMRZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.65
Rot. Bonds6

About 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085686) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109085686
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(C(=O)NCc3cccnc3)c2)c1
InChIInChI=1S/C21H20N4O2/c1-15-4-2-5-16(10-15)13-24-20(26)18-7-9-23-19(11-18)21(27)25-14-17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDUYWKBBHYUZMRZ-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087356

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (CID 109085686) is 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is Cc1cccc(CNC(=O)c2ccnc(C(=O)NCc3cccnc3)c2)c1.
What is the InChIKey of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is DUYWKBBHYUZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-4-2-5-16(10-15)13-24-20(26)18-7-9-23-19(11-18)21(27)25-14-17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).