N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide

C15H26N2O — CID 137427086

IUPACN-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide
SMILESCCCC(CCC)NC(=O)C1CC=C(C)C(C)=N1
InChIInChI=1S/C15H26N2O/c1-5-7-13(8-6-2)17-15(18)14-10-9-11(3)12(4)16-14/h9,13-14H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyKEKCOAVANJDGPJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.25
Rot. Bonds6

About N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide

N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide (PubChem CID 137427086) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide
PubChem CID137427086
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide
SMILESCCCC(CCC)NC(=O)C1CC=C(C)C(C)=N1
InChIInChI=1S/C15H26N2O/c1-5-7-13(8-6-2)17-15(18)14-10-9-11(3)12(4)16-14/h9,13-14H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyKEKCOAVANJDGPJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide?
The IUPAC name of N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide (CID 137427086) is N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide.
What is the SMILES notation for N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide?
The canonical SMILES for N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide is CCCC(CCC)NC(=O)C1CC=C(C)C(C)=N1.
What is the InChIKey of N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide?
The InChIKey is KEKCOAVANJDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-13(8-6-2)17-15(18)14-10-9-11(3)12(4)16-14/h9,13-14H,5-8,10H2,1-4H3,(H,17,18).
What are the key properties of N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide?
N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 3.25, 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-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide is sourced from PubChem (CID 137427086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).