1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine

C15H17ClN4O2 — CID 42909539

IUPAC1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)C(CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-19(2)14(11-6-3-4-7-12(11)16)10-18-15-13(20(21)22)8-5-9-17-15/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyAFIMPOJEVQKSOV-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.36
Rot. Bonds6

About 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine

1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 42909539) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID42909539
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)C(CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-19(2)14(11-6-3-4-7-12(11)16)10-18-15-13(20(21)22)8-5-9-17-15/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyAFIMPOJEVQKSOV-UHFFFAOYSA-N
XLogP3.36
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
3-[(3-nitro-2-pyridinyl)amino]-2-phenylpropanoic acid
CID 13214598
N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 63966801
7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-3H-quinazolin-4-one
CID 135562777
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-nitrobenzamide
CID 42910730
4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide
CID 9110117
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
3-nitro-N-(3-phenylbutyl)pyridin-2-amine
CID 62404040
3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-4-methyl-5-nitrobenzonitrile
CID 55754136

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 42909539) is 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine is CN(C)C(CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is AFIMPOJEVQKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-19(2)14(11-6-3-4-7-12(11)16)10-18-15-13(20(21)22)8-5-9-17-15/h3-9,14H,10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 320.78 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 42909539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).