6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine

C15H24N4O2 — CID 81139190

IUPAC6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCNCC1)c1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-3-10-18(11-13-6-8-16-9-7-13)15-14(19(20)21)5-4-12(2)17-15/h4-5,13,16H,3,6-11H2,1-2H3
InChIKeyVUYWGXUWEGWZRQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds6

About 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine

6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine (PubChem CID 81139190) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
PubChem CID81139190
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCNCC1)c1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-3-10-18(11-13-6-8-16-9-7-13)15-14(19(20)21)5-4-12(2)17-15/h4-5,13,16H,3,6-11H2,1-2H3
InChIKeyVUYWGXUWEGWZRQ-UHFFFAOYSA-N
XLogP2.51
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.51
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-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine
CID 103080325
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 79719766
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
N-ethyl-4-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719675
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 104508284
3-iodo-N-methyl-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 106493510
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine
CID 11482997

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine (CID 81139190) is 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CCNCC1)c1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine?
The InChIKey is VUYWGXUWEGWZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-10-18(11-13-6-8-16-9-7-13)15-14(19(20)21)5-4-12(2)17-15/h4-5,13,16H,3,6-11H2,1-2H3.
What are the key properties of 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine?
6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 81139190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).