N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine

C20H21N5O2 — CID 18967507

IUPACN-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine
SMILESCN1CCN(c2cccc3ccc(Nc4ncccc4[N+](=O)[O-])cc23)CC1
InChIInChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)18-5-2-4-15-7-8-16(14-17(15)18)22-20-19(25(26)27)6-3-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyRYALYNJIPVORAC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.64
Rot. Bonds4

About N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine

N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine (PubChem CID 18967507) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine
PubChem CID18967507
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine
SMILESCN1CCN(c2cccc3ccc(Nc4ncccc4[N+](=O)[O-])cc23)CC1
InChIInChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)18-5-2-4-15-7-8-16(14-17(15)18)22-20-19(25(26)27)6-3-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyRYALYNJIPVORAC-UHFFFAOYSA-N
XLogP3.64
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-nitropyridin-2-amine
CID 133273122
3-N-[6-(4-methylpiperazin-1-yl)-3-nitro-2-pyridinyl]benzene-1,3-diamine
CID 67995022
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
CID 133406697
1-methyl-4-[3-(4-methylpiperazin-1-yl)-4-nitrophenyl]piperazine
CID 2888142
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
CID 23353494
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
8-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfanylquinoline
CID 171977947
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine?
The IUPAC name of N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine (CID 18967507) is N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine is CN1CCN(c2cccc3ccc(Nc4ncccc4[N+](=O)[O-])cc23)CC1.
What is the InChIKey of N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine?
The InChIKey is RYALYNJIPVORAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)18-5-2-4-15-7-8-16(14-17(15)18)22-20-19(25(26)27)6-3-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine?
N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine has a molecular weight of 363.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 18967507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).