5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide

C16H20N4O — CID 114406741

IUPAC5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1nc(C(N)=O)ccc1N
InChIInChI=1S/C16H20N4O/c1-16(2,3)10-6-4-5-7-12(10)19-15-11(17)8-9-13(20-15)14(18)21/h4-9H,17H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyZEGCOHJKDFCSKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds3

About 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide

5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide (PubChem CID 114406741) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide
PubChem CID114406741
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1nc(C(N)=O)ccc1N
InChIInChI=1S/C16H20N4O/c1-16(2,3)10-6-4-5-7-12(10)19-15-11(17)8-9-13(20-15)14(18)21/h4-9H,17H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyZEGCOHJKDFCSKQ-UHFFFAOYSA-N
XLogP2.80
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide (CID 114406741) is 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide is CC(C)(C)c1ccccc1Nc1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide?
The InChIKey is ZEGCOHJKDFCSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2,3)10-6-4-5-7-12(10)19-15-11(17)8-9-13(20-15)14(18)21/h4-9H,17H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide?
5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 114406741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).