2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide

C13H23N3O — CID 123280112

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide
SMILESCC1=NC(N)CC(C(=O)NC(C)C(C)(C)C)=C1
InChIInChI=1S/C13H23N3O/c1-8-6-10(7-11(14)15-8)12(17)16-9(2)13(3,4)5/h6,9,11H,7,14H2,1-5H3,(H,16,17)
InChIKeyLJIFONSNXDJHST-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide

2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide (PubChem CID 123280112) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide
PubChem CID123280112
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide
SMILESCC1=NC(N)CC(C(=O)NC(C)C(C)(C)C)=C1
InChIInChI=1S/C13H23N3O/c1-8-6-10(7-11(14)15-8)12(17)16-9(2)13(3,4)5/h6,9,11H,7,14H2,1-5H3,(H,16,17)
InChIKeyLJIFONSNXDJHST-UHFFFAOYSA-N
XLogP1.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 117125993
(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide
CID 123433689
(E,2E)-N-(3,3-dimethylbutan-2-yl)-2-ethylidene-3-methyl-4-(propan-2-ylideneamino)pent-3-enamide
CID 143117781

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide (CID 123280112) is 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide is CC1=NC(N)CC(C(=O)NC(C)C(C)(C)C)=C1.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide?
The InChIKey is LJIFONSNXDJHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8-6-10(7-11(14)15-8)12(17)16-9(2)13(3,4)5/h6,9,11H,7,14H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 123280112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).