1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine

C14H22N4O2 — CID 103186282

IUPAC1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(C)c([N+](=O)[O-])c2C)C1
InChIInChI=1S/C14H22N4O2/c1-10-7-16-13(11(2)14(10)18(19)20)9-17-6-4-5-12(8-17)15-3/h7,12,15H,4-6,8-9H2,1-3H3
InChIKeySTISLQNAZPEKLQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.79
Rot. Bonds4

About 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 103186282) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
PubChem CID103186282
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(C)c([N+](=O)[O-])c2C)C1
InChIInChI=1S/C14H22N4O2/c1-10-7-16-13(11(2)14(10)18(19)20)9-17-6-4-5-12(8-17)15-3/h7,12,15H,4-6,8-9H2,1-3H3
InChIKeySTISLQNAZPEKLQ-UHFFFAOYSA-N
XLogP1.79
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.79
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

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
CID 103186311
[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 103182805
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 103186358
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 103186194
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160811
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025324
[1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azepan-2-yl]methanol
CID 103182849
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103185606
N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine
CID 119920200
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-1,1-dioxothian-3-amine
CID 103185688
4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine
CID 103186137
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 56824166

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine (CID 103186282) is 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2ncc(C)c([N+](=O)[O-])c2C)C1.
What is the InChIKey of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is STISLQNAZPEKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-7-16-13(11(2)14(10)18(19)20)9-17-6-4-5-12(8-17)15-3/h7,12,15H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine?
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 103186282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).