6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine

C12H18N4O2 — CID 80718381

IUPAC6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
SMILESCc1nc(NC2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-11(16(17)18)3-4-12(13-9)14-10-5-7-15(2)8-6-10/h3-4,10H,5-8H2,1-2H3,(H,13,14)
InChIKeyDYHRKDVJEFXXEC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.80
Rot. Bonds3

About 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine

6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine (PubChem CID 80718381) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
PubChem CID80718381
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
SMILESCc1nc(NC2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-11(16(17)18)3-4-12(13-9)14-10-5-7-15(2)8-6-10/h3-4,10H,5-8H2,1-2H3,(H,13,14)
InChIKeyDYHRKDVJEFXXEC-UHFFFAOYSA-N
XLogP1.80
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.80
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'}

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Related Compounds

N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-(2-cyclopropyloxolan-3-yl)-6-methyl-5-nitropyridin-2-amine
CID 103864059
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
CID 80712207
N-ethyl-6-(1-methylpiperidin-4-yl)oxy-5-nitropyridin-2-amine
CID 80873157
3-[(1-methylpiperidin-4-yl)amino]-4-nitrobenzoic acid
CID 82784640
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine (CID 80718381) is 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine is Cc1nc(NC2CCN(C)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
The InChIKey is DYHRKDVJEFXXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-11(16(17)18)3-4-12(13-9)14-10-5-7-15(2)8-6-10/h3-4,10H,5-8H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine?
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80718381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).