2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide

C14H15N3O — CID 3756204

IUPAC2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide
SMILESCc1nc(N)c(C(N)=O)c(-c2ccccc2)c1C
InChIInChI=1S/C14H15N3O/c1-8-9(2)17-13(15)12(14(16)18)11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyDSGTXRTUXYLXCR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide

2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide (PubChem CID 3756204) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide
PubChem CID3756204
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide
SMILESCc1nc(N)c(C(N)=O)c(-c2ccccc2)c1C
InChIInChI=1S/C14H15N3O/c1-8-9(2)17-13(15)12(14(16)18)11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyDSGTXRTUXYLXCR-UHFFFAOYSA-N
XLogP2.05
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide (CID 3756204) is 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide is Cc1nc(N)c(C(N)=O)c(-c2ccccc2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide?
The InChIKey is DSGTXRTUXYLXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-9(2)17-13(15)12(14(16)18)11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,17)(H2,16,18).
What are the key properties of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide?
2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 3756204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).