2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide

C12H15N3O2 — CID 142018542

IUPAC2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(C(=O)NCC2CC2)n1
InChIInChI=1S/C12H15N3O2/c1-7-2-5-9(11(13)16)10(15-7)12(17)14-6-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyJKPKWPSPRWDVCK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.63
Rot. Bonds4

About 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide

2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide (PubChem CID 142018542) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
PubChem CID142018542
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(C(=O)NCC2CC2)n1
InChIInChI=1S/C12H15N3O2/c1-7-2-5-9(11(13)16)10(15-7)12(17)14-6-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyJKPKWPSPRWDVCK-UHFFFAOYSA-N
XLogP0.63
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide (CID 142018542) is 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide is Cc1ccc(C(N)=O)c(C(=O)NCC2CC2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
The InChIKey is JKPKWPSPRWDVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-2-5-9(11(13)16)10(15-7)12(17)14-6-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 142018542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).