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

C14H22N4O2 — CID 83266650

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
SMILESCCN1CCC(CNc2cc([N+](=O)[O-])c(C)cn2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-17-6-4-12(5-7-17)10-16-14-8-13(18(19)20)11(2)9-15-14/h8-9,12H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyZNXHAJJZRPYBDA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.44
Rot. Bonds5

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

N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine (PubChem CID 83266650) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
PubChem CID83266650
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
SMILESCCN1CCC(CNc2cc([N+](=O)[O-])c(C)cn2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-17-6-4-12(5-7-17)10-16-14-8-13(18(19)20)11(2)9-15-14/h8-9,12H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyZNXHAJJZRPYBDA-UHFFFAOYSA-N
XLogP2.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.44
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-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130818
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342954
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
5-methyl-4-nitro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 83269750
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339346
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine (CID 83266650) is N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine is CCN1CCC(CNc2cc([N+](=O)[O-])c(C)cn2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
The InChIKey is ZNXHAJJZRPYBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-17-6-4-12(5-7-17)10-16-14-8-13(18(19)20)11(2)9-15-14/h8-9,12H,3-7,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.44, 5 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)methyl]-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83266650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).