N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide

C14H23N3O — CID 104640934

IUPACN-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)C(C)CC(C)C)nc1
InChIInChI=1S/C14H23N3O/c1-10(2)8-11(3)17(5)14(18)13-7-6-12(15-4)9-16-13/h6-7,9-11,15H,8H2,1-5H3
InChIKeyCCKMZVQCFKVYCO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds5

About N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide

N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide (PubChem CID 104640934) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
PubChem CID104640934
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)C(C)CC(C)C)nc1
InChIInChI=1S/C14H23N3O/c1-10(2)8-11(3)17(5)14(18)13-7-6-12(15-4)9-16-13/h6-7,9-11,15H,8H2,1-5H3
InChIKeyCCKMZVQCFKVYCO-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide (CID 104640934) is N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide is CNc1ccc(C(=O)N(C)C(C)CC(C)C)nc1.
What is the InChIKey of N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide?
The InChIKey is CCKMZVQCFKVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)8-11(3)17(5)14(18)13-7-6-12(15-4)9-16-13/h6-7,9-11,15H,8H2,1-5H3.
What are the key properties of N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide?
N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104640934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).