N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide

C15H24N2O — CID 89049741

IUPACN-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide
SMILESC=C1C(C(=O)NC(CCC)CCC)=CC=CN1C
InChIInChI=1S/C15H24N2O/c1-5-8-13(9-6-2)16-15(18)14-10-7-11-17(4)12(14)3/h7,10-11,13H,3,5-6,8-9H2,1-2,4H3,(H,16,18)
InChIKeySGYXZQDQZZEECO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.97
Rot. Bonds6

About N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide

N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide (PubChem CID 89049741) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide.

Molecular Properties

Compound NameN-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide
PubChem CID89049741
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide
SMILESC=C1C(C(=O)NC(CCC)CCC)=CC=CN1C
InChIInChI=1S/C15H24N2O/c1-5-8-13(9-6-2)16-15(18)14-10-7-11-17(4)12(14)3/h7,10-11,13H,3,5-6,8-9H2,1-2,4H3,(H,16,18)
InChIKeySGYXZQDQZZEECO-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide?
The IUPAC name of N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide (CID 89049741) is N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide.
What is the SMILES notation for N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide?
The canonical SMILES for N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide is C=C1C(C(=O)NC(CCC)CCC)=CC=CN1C.
What is the InChIKey of N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide?
The InChIKey is SGYXZQDQZZEECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-8-13(9-6-2)16-15(18)14-10-7-11-17(4)12(14)3/h7,10-11,13H,3,5-6,8-9H2,1-2,4H3,(H,16,18).
What are the key properties of N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide?
N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide is sourced from PubChem (CID 89049741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).