4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine

C16H20N4O3 — CID 133422618

IUPAC4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCc2ccnc(OC(C)(C)C)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O3/c1-11-7-14(19-10-13(11)20(21)22)18-9-12-5-6-17-15(8-12)23-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyQXNXIDHMXCGHCP-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.48
Rot. Bonds5

About 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine

4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine (PubChem CID 133422618) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
PubChem CID133422618
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCc2ccnc(OC(C)(C)C)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O3/c1-11-7-14(19-10-13(11)20(21)22)18-9-12-5-6-17-15(8-12)23-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyQXNXIDHMXCGHCP-UHFFFAOYSA-N
XLogP3.48
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]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-[(4-ethoxy-3-methylphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339278
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342970
5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 83267359
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133343558
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
4-methyl-5-nitro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133339342
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine (CID 133422618) is 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine is Cc1cc(NCc2ccnc(OC(C)(C)C)c2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine?
The InChIKey is QXNXIDHMXCGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-7-14(19-10-13(11)20(21)22)18-9-12-5-6-17-15(8-12)23-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19).
What are the key properties of 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine?
4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133422618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).