N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide

C18H28N2O2 — CID 110027805

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
SMILESCC1(C(=O)NCC(CO)Cc2ccccn2)CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-18(9-5-2-3-6-10-18)17(22)20-13-15(14-21)12-16-8-4-7-11-19-16/h4,7-8,11,15,21H,2-3,5-6,9-10,12-14H2,1H3,(H,20,22)
InChIKeyCYJVJKWCXQIDOM-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide (PubChem CID 110027805) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
PubChem CID110027805
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
SMILESCC1(C(=O)NCC(CO)Cc2ccccn2)CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-18(9-5-2-3-6-10-18)17(22)20-13-15(14-21)12-16-8-4-7-11-19-16/h4,7-8,11,15,21H,2-3,5-6,9-10,12-14H2,1H3,(H,20,22)
InChIKeyCYJVJKWCXQIDOM-UHFFFAOYSA-N
XLogP2.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 75381073
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478271
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide (CID 110027805) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide is CC1(C(=O)NCC(CO)Cc2ccccn2)CCCCCC1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide?
The InChIKey is CYJVJKWCXQIDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(9-5-2-3-6-10-18)17(22)20-13-15(14-21)12-16-8-4-7-11-19-16/h4,7-8,11,15,21H,2-3,5-6,9-10,12-14H2,1H3,(H,20,22).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 110027805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).