8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide

C16H14N4O — CID 90178332

IUPAC8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNCc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1
InChIInChI=1S/C16H14N4O/c17-7-10-1-3-11(4-2-10)13-9-19-8-12-5-6-14(16(18)21)20-15(12)13/h1-6,8-9H,7,17H2,(H2,18,21)
InChIKeyBXUNHNSTIXUOBI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.85
Rot. Bonds3

About 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide

8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 90178332) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID90178332
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNCc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1
InChIInChI=1S/C16H14N4O/c17-7-10-1-3-11(4-2-10)13-9-19-8-12-5-6-14(16(18)21)20-15(12)13/h1-6,8-9H,7,17H2,(H2,18,21)
InChIKeyBXUNHNSTIXUOBI-UHFFFAOYSA-N
XLogP1.85
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide (CID 90178332) is 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide is NCc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1.
What is the InChIKey of 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is BXUNHNSTIXUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-7-10-1-3-11(4-2-10)13-9-19-8-12-5-6-14(16(18)21)20-15(12)13/h1-6,8-9H,7,17H2,(H2,18,21).
What are the key properties of 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 90178332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).