3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

C18H22N4O2 — CID 109106107

IUPAC3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C18H22N4O2/c1-13(2)3-8-21-17(23)15-9-16(12-20-11-15)18(24)22-10-14-4-6-19-7-5-14/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVEXGWHCRNRDNMG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.18
Rot. Bonds7

About 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106107) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109106107
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C18H22N4O2/c1-13(2)3-8-21-17(23)15-9-16(12-20-11-15)18(24)22-10-14-4-6-19-7-5-14/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVEXGWHCRNRDNMG-UHFFFAOYSA-N
XLogP2.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (CID 109106107) is 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cncc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is VEXGWHCRNRDNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)3-8-21-17(23)15-9-16(12-20-11-15)18(24)22-10-14-4-6-19-7-5-14/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).