N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide

C16H24N2O2 — CID 107148227

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H24N2O2/c1-13-7-6-10-17-14(13)11-15(19)18-12-16(20)8-4-2-3-5-9-16/h6-7,10,20H,2-5,8-9,11-12H2,1H3,(H,18,19)
InChIKeyJBMSLEIJFUHWNK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148227) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148227
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H24N2O2/c1-13-7-6-10-17-14(13)11-15(19)18-12-16(20)8-4-2-3-5-9-16/h6-7,10,20H,2-5,8-9,11-12H2,1H3,(H,18,19)
InChIKeyJBMSLEIJFUHWNK-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107147298
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-(2-amino-2-cyclopropylethyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148527
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide (CID 107148227) is N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1CC(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is JBMSLEIJFUHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-6-10-17-14(13)11-15(19)18-12-16(20)8-4-2-3-5-9-16/h6-7,10,20H,2-5,8-9,11-12H2,1H3,(H,18,19).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).