N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine

C17H22N6O2 — CID 133343778

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
SMILESCCc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cn3)CC2)ncn1
InChIInChI=1S/C17H22N6O2/c1-3-13-9-17(20-11-19-13)22-6-4-14(5-7-22)21-16-8-12(2)15(10-18-16)23(24)25/h8-11,14H,3-7H2,1-2H3,(H,18,21)
InChIKeyOSFHULUMWGGULL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133343778) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133343778
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
SMILESCCc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cn3)CC2)ncn1
InChIInChI=1S/C17H22N6O2/c1-3-13-9-17(20-11-19-13)22-6-4-14(5-7-22)21-16-8-12(2)15(10-18-16)23(24)25/h8-11,14H,3-7H2,1-2H3,(H,18,21)
InChIKeyOSFHULUMWGGULL-UHFFFAOYSA-N
XLogP2.73
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-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-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-8-nitroisoquinolin-5-amine
CID 133343785
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
1-(6-ethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133343808
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine (CID 133343778) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine is CCc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cn3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is OSFHULUMWGGULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-13-9-17(20-11-19-13)22-6-4-14(5-7-22)21-16-8-12(2)15(10-18-16)23(24)25/h8-11,14H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133343778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).