6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C23H30N4O3 — CID 46044811

IUPAC6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)c(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1
InChIInChI=1S/C23H30N4O3/c1-16(2)14-24-23(28)21-9-4-17(3)25-22(21)19-10-12-26(13-11-19)15-18-5-7-20(8-6-18)27(29)30/h4-9,16,19H,10-15H2,1-3H3,(H,24,28)
InChIKeyRZGUHGJQVKZILN-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.06
Rot. Bonds7

About 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46044811) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46044811
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)c(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1
InChIInChI=1S/C23H30N4O3/c1-16(2)14-24-23(28)21-9-4-17(3)25-22(21)19-10-12-26(13-11-19)15-18-5-7-20(8-6-18)27(29)30/h4-9,16,19H,10-15H2,1-3H3,(H,24,28)
InChIKeyRZGUHGJQVKZILN-UHFFFAOYSA-N
XLogP4.06
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.06
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-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069186
N-benzyl-N-[2-(dimethylamino)ethyl]-6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 42867505
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[6-methyl-2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-3-pyridinyl]methanone
CID 92998327
[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42852080
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3787919

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 46044811) is 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)C)c(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is RZGUHGJQVKZILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(2)14-24-23(28)21-9-4-17(3)25-22(21)19-10-12-26(13-11-19)15-18-5-7-20(8-6-18)27(29)30/h4-9,16,19H,10-15H2,1-3H3,(H,24,28).
What are the key properties of 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46044811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).