N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine

C16H17ClN4O2 — CID 133407006

IUPACN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine
SMILESCN1CCC(Nc2ncccc2[N+](=O)[O-])C1c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c1-20-10-8-13(15(20)11-4-6-12(17)7-5-11)19-16-14(21(22)23)3-2-9-18-16/h2-7,9,13,15H,8,10H2,1H3,(H,18,19)
InChIKeyDDPDIHBRKGKUCE-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine

N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine (PubChem CID 133407006) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine
PubChem CID133407006
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine
SMILESCN1CCC(Nc2ncccc2[N+](=O)[O-])C1c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c1-20-10-8-13(15(20)11-4-6-12(17)7-5-11)19-16-14(21(22)23)3-2-9-18-16/h2-7,9,13,15H,8,10H2,1H3,(H,18,19)
InChIKeyDDPDIHBRKGKUCE-UHFFFAOYSA-N
XLogP3.50
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.50
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 N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-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-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
2-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 98874644
2-[[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133407024
1-methyl-N-[(2-nitrophenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 119040628
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride
CID 134119435
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133438863
2-[[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133407048
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine (CID 133407006) is N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine is CN1CCC(Nc2ncccc2[N+](=O)[O-])C1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine?
The InChIKey is DDPDIHBRKGKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-20-10-8-13(15(20)11-4-6-12(17)7-5-11)19-16-14(21(22)23)3-2-9-18-16/h2-7,9,13,15H,8,10H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine?
N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine has a molecular weight of 332.79 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 133407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).