3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine

C14H10N6O4 — CID 44550526

IUPAC3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
SMILESCc1cc(-c2cc([N+](=O)[O-])cnc2N)nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C14H10N6O4/c1-7-2-12(11-4-9(20(23)24)5-16-13(11)15)18-14-10(7)3-8(6-17-14)19(21)22/h2-6H,1H3,(H2,15,16)
InChIKeyNUMPPYBRLYHNMA-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine

3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine (PubChem CID 44550526) has the molecular formula C14H10N6O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
PubChem CID44550526
Molecular FormulaC14H10N6O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Name3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
SMILESCc1cc(-c2cc([N+](=O)[O-])cnc2N)nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C14H10N6O4/c1-7-2-12(11-4-9(20(23)24)5-16-13(11)15)18-14-10(7)3-8(6-17-14)19(21)22/h2-6H,1H3,(H2,15,16)
InChIKeyNUMPPYBRLYHNMA-UHFFFAOYSA-N
XLogP2.40
TPSA150.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
CID 143908251
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 171705544
3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
CID 15448616
5-methyl-3-nitroquinoline
CID 119082281
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66304278
N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 58227806
2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine
CID 76850301
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 86207952
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
3-(furan-3-yl)-2-methyl-5-nitropyridine
CID 165009700
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline
CID 79791262

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine?
The IUPAC name of 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine (CID 44550526) is 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine is Cc1cc(-c2cc([N+](=O)[O-])cnc2N)nc2ncc([N+](=O)[O-])cc12.
What is the InChIKey of 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine?
The InChIKey is NUMPPYBRLYHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O4/c1-7-2-12(11-4-9(20(23)24)5-16-13(11)15)18-14-10(7)3-8(6-17-14)19(21)22/h2-6H,1H3,(H2,15,16).
What are the key properties of 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine?
3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine has a molecular weight of 326.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 44550526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).