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

C13H20N4O2 — CID 83268812

IUPACN-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
SMILESCCN1CCC(Nc2cc([N+](=O)[O-])c(C)cn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-16-6-4-11(5-7-16)15-13-8-12(17(18)19)10(2)9-14-13/h8-9,11H,3-7H2,1-2H3,(H,14,15)
InChIKeyVNTTVGAXADQFLQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.19
Rot. Bonds4

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

N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine (PubChem CID 83268812) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
PubChem CID83268812
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
SMILESCCN1CCC(Nc2cc([N+](=O)[O-])c(C)cn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-16-6-4-11(5-7-16)15-13-8-12(17(18)19)10(2)9-14-13/h8-9,11H,3-7H2,1-2H3,(H,14,15)
InChIKeyVNTTVGAXADQFLQ-UHFFFAOYSA-N
XLogP2.19
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.19
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-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine
CID 83269056
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343778
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
CID 60970857
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine (CID 83268812) is N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine is CCN1CCC(Nc2cc([N+](=O)[O-])c(C)cn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine?
The InChIKey is VNTTVGAXADQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-16-6-4-11(5-7-16)15-13-8-12(17(18)19)10(2)9-14-13/h8-9,11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine?
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83268812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).