5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide

C13H22N4O — CID 123953531

IUPAC5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide
SMILESCCCCc1c(NC)nc(NC)c(C(N)=O)c1C
InChIInChI=1S/C13H22N4O/c1-5-6-7-9-8(2)10(11(14)18)13(16-4)17-12(9)15-3/h5-7H2,1-4H3,(H2,14,18)(H2,15,16,17)
InChIKeySLTURIMEMATMRO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.91
Rot. Bonds6

About 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide

5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide (PubChem CID 123953531) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide
PubChem CID123953531
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide
SMILESCCCCc1c(NC)nc(NC)c(C(N)=O)c1C
InChIInChI=1S/C13H22N4O/c1-5-6-7-9-8(2)10(11(14)18)13(16-4)17-12(9)15-3/h5-7H2,1-4H3,(H2,14,18)(H2,15,16,17)
InChIKeySLTURIMEMATMRO-UHFFFAOYSA-N
XLogP1.91
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide (CID 123953531) is 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide is CCCCc1c(NC)nc(NC)c(C(N)=O)c1C.
What is the InChIKey of 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide?
The InChIKey is SLTURIMEMATMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-6-7-9-8(2)10(11(14)18)13(16-4)17-12(9)15-3/h5-7H2,1-4H3,(H2,14,18)(H2,15,16,17).
What are the key properties of 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide?
5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123953531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).