7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine

C18H14N6O2 — CID 90288925

IUPAC7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
SMILESCn1cc(-c2cnc3ccc(Nc4cccc([N+](=O)[O-])c4)nc3c2)cn1
InChIInChI=1S/C18H14N6O2/c1-23-11-13(10-20-23)12-7-17-16(19-9-12)5-6-18(22-17)21-14-3-2-4-15(8-14)24(25)26/h2-11H,1H3,(H,21,22)
InChIKeyPDFKVCZPTZNRBO-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.68
Rot. Bonds4

About 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine

7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine (PubChem CID 90288925) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
PubChem CID90288925
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
SMILESCn1cc(-c2cnc3ccc(Nc4cccc([N+](=O)[O-])c4)nc3c2)cn1
InChIInChI=1S/C18H14N6O2/c1-23-11-13(10-20-23)12-7-17-16(19-9-12)5-6-18(22-17)21-14-3-2-4-15(8-14)24(25)26/h2-11H,1H3,(H,21,22)
InChIKeyPDFKVCZPTZNRBO-UHFFFAOYSA-N
XLogP3.68
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 21
CID 6539363
N-(3-nitrophenyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10215271
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
8-(3-Nitrophenyl)-1,7-naphthyridin-6-amine
CID 10611778
6-Phenyl-N-(Pyridin-4-Yl)pyrrolo[2,1-F][1,2,4]triazin-4-Amine
CID 77068235
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-3-amine
CID 24882198
9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl
CID 385364
N-(3-nitrophenyl)-N'-pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidin-4-ylurea
CID 11645981
N'-[4-(4-ethylphenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 18335001
N'-[5-imidazol-1-yl-4-(4-methylphenyl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 18335009
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 52936268
1-Tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 53236670

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine (CID 90288925) is 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine is Cn1cc(-c2cnc3ccc(Nc4cccc([N+](=O)[O-])c4)nc3c2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine?
The InChIKey is PDFKVCZPTZNRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-23-11-13(10-20-23)12-7-17-16(19-9-12)5-6-18(22-17)21-14-3-2-4-15(8-14)24(25)26/h2-11H,1H3,(H,21,22).
What are the key properties of 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine?
7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine has a molecular weight of 346.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).