N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine

C15H18N4O2 — CID 115585416

IUPACN'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1cccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-18(13-7-3-2-4-8-13)12-6-11-16-14-9-5-10-17-15(14)19(20)21/h2-5,7-10,16H,6,11-12H2,1H3
InChIKeyGSAMDAJADBBRBL-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.93
Rot. Bonds7

About N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine

N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine (PubChem CID 115585416) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine
PubChem CID115585416
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1cccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-18(13-7-3-2-4-8-13)12-6-11-16-14-9-5-10-17-15(14)19(20)21/h2-5,7-10,16H,6,11-12H2,1H3
InChIKeyGSAMDAJADBBRBL-UHFFFAOYSA-N
XLogP2.93
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-N-pent-4-ynylpyridin-3-amine
CID 103704442
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
2-nitro-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 115585673
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
N-(3-imidazol-1-ylpropyl)-2-nitropyridin-3-amine
CID 112685068
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
N'-methyl-N-(3-nitropyridin-1-ium-2-yl)-N'-phenylpropane-1,3-diamine
CID 9108750
4-[3-(N-methylanilino)propylamino]-3-nitrobenzamide
CID 9108749
N-methyl-4-[3-(N-methylanilino)propylamino]-3-nitrobenzenesulfonamide
CID 51160058
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
N-methyl-2-nitropyridin-3-amine
CID 555983

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine (CID 115585416) is N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine is CN(CCCNc1cccnc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine?
The InChIKey is GSAMDAJADBBRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(13-7-3-2-4-8-13)12-6-11-16-14-9-5-10-17-15(14)19(20)21/h2-5,7-10,16H,6,11-12H2,1H3.
What are the key properties of N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine?
N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine has a molecular weight of 286.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 115585416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).