5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide

C13H20ClN3O — CID 114089562

IUPAC5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)ncc1N)C(C)(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(13(2,3)4)6-17-12(18)9-5-11(14)16-7-10(9)15/h5,7-8H,6,15H2,1-4H3,(H,17,18)
InChIKeyXJVQOZFXLSCPDH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.73
Rot. Bonds3

About 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide

5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide (PubChem CID 114089562) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
PubChem CID114089562
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)ncc1N)C(C)(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(13(2,3)4)6-17-12(18)9-5-11(14)16-7-10(9)15/h5,7-8H,6,15H2,1-4H3,(H,17,18)
InChIKeyXJVQOZFXLSCPDH-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114089506
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide (CID 114089562) is 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide is CC(CNC(=O)c1cc(Cl)ncc1N)C(C)(C)C.
What is the InChIKey of 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide?
The InChIKey is XJVQOZFXLSCPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(13(2,3)4)6-17-12(18)9-5-11(14)16-7-10(9)15/h5,7-8H,6,15H2,1-4H3,(H,17,18).
What are the key properties of 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide?
5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 114089562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).