N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine

C14H22N4O2 — CID 133342954

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCN1CCCC(CNc2cc(C)c([N+](=O)[O-])cn2)C1
InChIInChI=1S/C14H22N4O2/c1-3-17-6-4-5-12(10-17)8-15-14-7-11(2)13(9-16-14)18(19)20/h7,9,12H,3-6,8,10H2,1-2H3,(H,15,16)
InChIKeyUXARAHKNNHJFGU-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.44
Rot. Bonds5

About N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine

N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133342954) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133342954
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCN1CCCC(CNc2cc(C)c([N+](=O)[O-])cn2)C1
InChIInChI=1S/C14H22N4O2/c1-3-17-6-4-5-12(10-17)8-15-14-7-11(2)13(9-16-14)18(19)20/h7,9,12H,3-6,8,10H2,1-2H3,(H,15,16)
InChIKeyUXARAHKNNHJFGU-UHFFFAOYSA-N
XLogP2.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.44
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-[(1-ethylpiperidin-3-yl)methyl]-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-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339346
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine (CID 133342954) is N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine is CCN1CCCC(CNc2cc(C)c([N+](=O)[O-])cn2)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is UXARAHKNNHJFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-17-6-4-5-12(10-17)8-15-14-7-11(2)13(9-16-14)18(19)20/h7,9,12H,3-6,8,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133342954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).