[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C16H17N3O — CID 60861567

IUPAC[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESNCc1ccc(C(=O)N2CCc3ncccc3C2)cc1
InChIInChI=1S/C16H17N3O/c17-10-12-3-5-13(6-4-12)16(20)19-9-7-15-14(11-19)2-1-8-18-15/h1-6,8H,7,9-11,17H2
InChIKeyAHCHRXXJZNUWKK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.74
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 60861567) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID60861567
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESNCc1ccc(C(=O)N2CCc3ncccc3C2)cc1
InChIInChI=1S/C16H17N3O/c17-10-12-3-5-13(6-4-12)16(20)19-9-7-15-14(11-19)2-1-8-18-15/h1-6,8H,7,9-11,17H2
InChIKeyAHCHRXXJZNUWKK-UHFFFAOYSA-N
XLogP1.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 63188563
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584
3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
CID 70840492

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 60861567) is [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is NCc1ccc(C(=O)N2CCc3ncccc3C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is AHCHRXXJZNUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-10-12-3-5-13(6-4-12)16(20)19-9-7-15-14(11-19)2-1-8-18-15/h1-6,8H,7,9-11,17H2.
What are the key properties of [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 60861567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).