N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine

C13H20N4O2 — CID 115599538

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
SMILESCN1CCC(CCNc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O2/c1-16-9-5-11(6-10-16)4-8-15-13-12(17(18)19)3-2-7-14-13/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,15)
InChIKeySWKFFCSCBHQNFI-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine (PubChem CID 115599538) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
PubChem CID115599538
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
SMILESCN1CCC(CCNc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O2/c1-16-9-5-11(6-10-16)4-8-15-13-12(17(18)19)3-2-7-14-13/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,15)
InChIKeySWKFFCSCBHQNFI-UHFFFAOYSA-N
XLogP2.13
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.13
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

2-[2-(1-methylpiperidin-4-yl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 115697038
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472122
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
6-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114516456
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine (CID 115599538) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine is CN1CCC(CCNc2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is SWKFFCSCBHQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16-9-5-11(6-10-16)4-8-15-13-12(17(18)19)3-2-7-14-13/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 115599538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).