3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

C18H22N4O2 — CID 109105910

IUPAC3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H22N4O2/c1-13(2)6-8-21-17(23)14-9-15(11-19-10-14)18(24)22-12-16-5-3-4-7-20-16/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNKFHGODIXCTYGJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.18
Rot. Bonds7

About 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105910) 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-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105910
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H22N4O2/c1-13(2)6-8-21-17(23)14-9-15(11-19-10-14)18(24)22-12-16-5-3-4-7-20-16/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNKFHGODIXCTYGJ-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-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105910) is 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cncc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NKFHGODIXCTYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)6-8-21-17(23)14-9-15(11-19-10-14)18(24)22-12-16-5-3-4-7-20-16/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-(3-methylbutyl)-5-N-(pyridin-2-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-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).