3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide

C16H14N4O2 — CID 171645002

IUPAC3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cccnc12
InChIInChI=1S/C16H14N4O2/c1-8-9(4-2-6-11(8)21)12-13(17)15(16(18)22)20-10-5-3-7-19-14(10)12/h2-7,21H,17H2,1H3,(H2,18,22)
InChIKeyUCJQUGUGPJPLDZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds2

About 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide

3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 171645002) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide
PubChem CID171645002
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cccnc12
InChIInChI=1S/C16H14N4O2/c1-8-9(4-2-6-11(8)21)12-13(17)15(16(18)22)20-10-5-3-7-19-14(10)12/h2-7,21H,17H2,1H3,(H2,18,22)
InChIKeyUCJQUGUGPJPLDZ-UHFFFAOYSA-N
XLogP1.99
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide (CID 171645002) is 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cccnc12.
What is the InChIKey of 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is UCJQUGUGPJPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-8-9(4-2-6-11(8)21)12-13(17)15(16(18)22)20-10-5-3-7-19-14(10)12/h2-7,21H,17H2,1H3,(H2,18,22).
What are the key properties of 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide?
3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 171645002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).