6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide

C12H17N3O2 — CID 166431334

IUPAC6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc(N)c(C=O)c1
InChIInChI=1S/C12H17N3O2/c1-4-12(2,3)15-11(17)8-5-9(7-16)10(13)14-6-8/h5-7H,4H2,1-3H3,(H2,13,14)(H,15,17)
InChIKeyZZXMQBQQTPIHBZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds4

About 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide

6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 166431334) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID166431334
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc(N)c(C=O)c1
InChIInChI=1S/C12H17N3O2/c1-4-12(2,3)15-11(17)8-5-9(7-16)10(13)14-6-8/h5-7H,4H2,1-3H3,(H2,13,14)(H,15,17)
InChIKeyZZXMQBQQTPIHBZ-UHFFFAOYSA-N
XLogP1.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide (CID 166431334) is 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide is CCC(C)(C)NC(=O)c1cnc(N)c(C=O)c1.
What is the InChIKey of 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is ZZXMQBQQTPIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-12(2,3)15-11(17)8-5-9(7-16)10(13)14-6-8/h5-7H,4H2,1-3H3,(H2,13,14)(H,15,17).
What are the key properties of 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-formyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166431334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).