6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C15H22N4O — CID 174947783

IUPAC6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(CCC(C)(C)C#N)ncc1C(N)=O
InChIInChI=1S/C15H22N4O/c1-10(2)19-13-7-11(5-6-15(3,4)9-16)18-8-12(13)14(17)20/h7-8,10H,5-6H2,1-4H3,(H2,17,20)(H,18,19)
InChIKeyLVXOFSZIGNHOBI-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.48
Rot. Bonds6

About 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 174947783) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID174947783
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(CCC(C)(C)C#N)ncc1C(N)=O
InChIInChI=1S/C15H22N4O/c1-10(2)19-13-7-11(5-6-15(3,4)9-16)18-8-12(13)14(17)20/h7-8,10H,5-6H2,1-4H3,(H2,17,20)(H,18,19)
InChIKeyLVXOFSZIGNHOBI-UHFFFAOYSA-N
XLogP2.48
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 174947783) is 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(CCC(C)(C)C#N)ncc1C(N)=O.
What is the InChIKey of 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is LVXOFSZIGNHOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)19-13-7-11(5-6-15(3,4)9-16)18-8-12(13)14(17)20/h7-8,10H,5-6H2,1-4H3,(H2,17,20)(H,18,19).
What are the key properties of 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 174947783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).