4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

C15H24N4O2 — CID 79705470

IUPAC4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCc1ccnc(N(CC2CCNCC2)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-11(2)18(10-13-5-7-16-8-6-13)15-14(19(20)21)12(3)4-9-17-15/h4,9,11,13,16H,5-8,10H2,1-3H3
InChIKeyKUSAYPVNTNUWLX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds5

About 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 79705470) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID79705470
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCc1ccnc(N(CC2CCNCC2)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-11(2)18(10-13-5-7-16-8-6-13)15-14(19(20)21)12(3)4-9-17-15/h4,9,11,13,16H,5-8,10H2,1-3H3
InChIKeyKUSAYPVNTNUWLX-UHFFFAOYSA-N
XLogP2.51
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79719994
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620566
2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
CID 82795332
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 79720132
N-(azetidin-3-yl)-N-ethyl-4-methyl-3-nitropyridin-2-amine
CID 66182623
N-(piperidin-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719414
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 79719702
4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide
CID 79705469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 79705470) is 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is Cc1ccnc(N(CC2CCNCC2)C(C)C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is KUSAYPVNTNUWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)18(10-13-5-7-16-8-6-13)15-14(19(20)21)12(3)4-9-17-15/h4,9,11,13,16H,5-8,10H2,1-3H3.
What are the key properties of 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 79705470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).