4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine

C12H18N4O2 — CID 114697022

IUPAC4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine
SMILESCc1cc(NC2(C)CCNCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-7-11(14-8-10(9)16(17)18)15-12(2)3-5-13-6-4-12/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMTVDVOMVFCCVBP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds3

About 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine

4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine (PubChem CID 114697022) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine
PubChem CID114697022
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine
SMILESCc1cc(NC2(C)CCNCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-7-11(14-8-10(9)16(17)18)15-12(2)3-5-13-6-4-12/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMTVDVOMVFCCVBP-UHFFFAOYSA-N
XLogP1.85
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-[(4-methyl-5-nitro-2-pyridinyl)amino]oxane-4-carboxylic acid
CID 115292058
4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114697177
N-(4-bromo-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696945
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953
4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
CID 103761740
5,6-dimethyl-N-(4-methylpiperidin-4-yl)pyrazin-2-amine
CID 114697083
[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 79176592
4,5-dimethyl-N-(3-methylpyrrolidin-3-yl)-2-nitrobenzenesulfonamide
CID 107423141
N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114697146
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine (CID 114697022) is 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine is Cc1cc(NC2(C)CCNCC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
The InChIKey is MTVDVOMVFCCVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-7-11(14-8-10(9)16(17)18)15-12(2)3-5-13-6-4-12/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 114697022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).