N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide

C20H24N4O3 — CID 87021590

IUPACN-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1
InChIInChI=1S/C20H24N4O3/c1-15-4-2-6-19(21-15)22-20(25)17-5-3-12-23(14-17)13-11-16-7-9-18(10-8-16)24(26)27/h2,4,6-10,17H,3,5,11-14H2,1H3,(H,21,22,25)
InChIKeyOXUZRHSHVWOVHJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.19
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide

N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 87021590) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
PubChem CID87021590
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1
InChIInChI=1S/C20H24N4O3/c1-15-4-2-6-19(21-15)22-20(25)17-5-3-12-23(14-17)13-11-16-7-9-18(10-8-16)24(26)27/h2,4,6-10,17H,3,5,11-14H2,1H3,(H,21,22,25)
InChIKeyOXUZRHSHVWOVHJ-UHFFFAOYSA-N
XLogP3.19
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.19
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

(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947
(3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 100615184
1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815918
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60522958
1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133270010
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide (CID 87021590) is N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is OXUZRHSHVWOVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-4-2-6-19(21-15)22-20(25)17-5-3-12-23(14-17)13-11-16-7-9-18(10-8-16)24(26)27/h2,4,6-10,17H,3,5,11-14H2,1H3,(H,21,22,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 87021590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).