8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C14H16N4O — CID 110489469

IUPAC8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCN1CCc2nc3ccc(N)cc3c(C(N)=O)c2C1
InChIInChI=1S/C14H16N4O/c1-18-5-4-12-10(7-18)13(14(16)19)9-6-8(15)2-3-11(9)17-12/h2-3,6H,4-5,7,15H2,1H3,(H2,16,19)
InChIKeyUQBOWYPHAPOTGQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.90
Rot. Bonds1

About 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 110489469) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID110489469
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCN1CCc2nc3ccc(N)cc3c(C(N)=O)c2C1
InChIInChI=1S/C14H16N4O/c1-18-5-4-12-10(7-18)13(14(16)19)9-6-8(15)2-3-11(9)17-12/h2-3,6H,4-5,7,15H2,1H3,(H2,16,19)
InChIKeyUQBOWYPHAPOTGQ-UHFFFAOYSA-N
XLogP0.90
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 933509
6-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489471
8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451391
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82452021
8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 61357933
ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
CID 10782569
(8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)hydrazine
CID 15631971
(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451326
(2-anilino-2-oxoethyl) 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23915561
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741
2-ethyl-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450420
2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 117274635

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 110489469) is 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CN1CCc2nc3ccc(N)cc3c(C(N)=O)c2C1.
What is the InChIKey of 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is UQBOWYPHAPOTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-5-4-12-10(7-18)13(14(16)19)9-6-8(15)2-3-11(9)17-12/h2-3,6H,4-5,7,15H2,1H3,(H2,16,19).
What are the key properties of 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 110489469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).