2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide

C16H18N4O2 — CID 109093458

IUPAC2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C16H18N4O2/c1-2-9-18-15(21)13-7-5-8-14(20-13)16(22)19-11-12-6-3-4-10-17-12/h3-8,10H,2,9,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyLGTBTWLAVFMGFU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.55
Rot. Bonds6

About 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide

2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109093458) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109093458
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C16H18N4O2/c1-2-9-18-15(21)13-7-5-8-14(20-13)16(22)19-11-12-6-3-4-10-17-12/h3-8,10H,2,9,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyLGTBTWLAVFMGFU-UHFFFAOYSA-N
XLogP1.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109296339
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
6-(cyclopropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 84570874
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109096906
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109093458) is 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is LGTBTWLAVFMGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-9-18-15(21)13-7-5-8-14(20-13)16(22)19-11-12-6-3-4-10-17-12/h3-8,10H,2,9,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109093458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).