4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine

C19H22ClN3O3 — CID 22052220

IUPAC4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine
SMILESCCC(Nc1nccc(-c2ccc(OC)cc2Cl)c1[N+](=O)[O-])C1CCC1
InChIInChI=1S/C19H22ClN3O3/c1-3-17(12-5-4-6-12)22-19-18(23(24)25)15(9-10-21-19)14-8-7-13(26-2)11-16(14)20/h7-12,17H,3-6H2,1-2H3,(H,21,22)
InChIKeyALFYSHPWVOKFBP-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.31
Rot. Bonds7

About 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine

4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine (PubChem CID 22052220) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine
PubChem CID22052220
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine
SMILESCCC(Nc1nccc(-c2ccc(OC)cc2Cl)c1[N+](=O)[O-])C1CCC1
InChIInChI=1S/C19H22ClN3O3/c1-3-17(12-5-4-6-12)22-19-18(23(24)25)15(9-10-21-19)14-8-7-13(26-2)11-16(14)20/h7-12,17H,3-6H2,1-2H3,(H,21,22)
InChIKeyALFYSHPWVOKFBP-UHFFFAOYSA-N
XLogP5.31
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.31
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'}

Analyze 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-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-[(1S)-1-cyclopropylpropyl]-4-(2,4-dichlorophenyl)-3-nitropyridin-2-amine
CID 62705475
2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine
CID 18001633
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 65193961
N-(1-cyclohexylpropyl)-3-methoxypyridin-2-amine
CID 113370900
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052152
N-(1-cyclohexylpropyl)-3-methylpyrazin-2-amine
CID 83064592
4-chloro-N-(1-cyclopropylpropyl)-3-nitroaniline
CID 64917775
4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 62705821
1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540726
3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
CID 113243776

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine (CID 22052220) is 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine is CCC(Nc1nccc(-c2ccc(OC)cc2Cl)c1[N+](=O)[O-])C1CCC1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine?
The InChIKey is ALFYSHPWVOKFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-3-17(12-5-4-6-12)22-19-18(23(24)25)15(9-10-21-19)14-8-7-13(26-2)11-16(14)20/h7-12,17H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine?
4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine has a molecular weight of 375.86 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 22052220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).