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

C28H42N4O3 — CID 3267670

IUPAC2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C28H42N4O3/c1-3-11-35-12-8-29-26(33)24-5-4-19(2)30-25(24)23-6-9-32(10-7-23)27(34)31-28-16-20-13-21(17-28)15-22(14-20)18-28/h4-5,20-23H,3,6-18H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyCTJNKRMWBMMNOI-UHFFFAOYSA-N
MW482.67 g/mol
LogP4.40
Rot. Bonds8

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

2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide (PubChem CID 3267670) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
PubChem CID3267670
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C28H42N4O3/c1-3-11-35-12-8-29-26(33)24-5-4-19(2)30-25(24)23-6-9-32(10-7-23)27(34)31-28-16-20-13-21(17-28)15-22(14-20)18-28/h4-5,20-23H,3,6-18H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyCTJNKRMWBMMNOI-UHFFFAOYSA-N
XLogP4.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 5183446
2-[1-[(2-ethoxyphenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3836869
6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3761621
6-methyl-2-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3852421
2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3864511
6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3762431
2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 3355267
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42852218
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide (CID 3267670) is 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide is CCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The InChIKey is CTJNKRMWBMMNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-3-11-35-12-8-29-26(33)24-5-4-19(2)30-25(24)23-6-9-32(10-7-23)27(34)31-28-16-20-13-21(17-28)15-22(14-20)18-28/h4-5,20-23H,3,6-18H2,1-2H3,(H,29,33)(H,31,34).
What are the key properties of 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3267670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).