1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide

C14H20N2O2 — CID 115182494

IUPAC1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)CC1)c1ccccn1
InChIInChI=1S/C14H20N2O2/c1-13(2,11-5-3-4-8-15-11)9-16-12(18)14(10-17)6-7-14/h3-5,8,17H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyHUKUXEDSDOVSEP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds5

About 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 115182494) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
PubChem CID115182494
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)CC1)c1ccccn1
InChIInChI=1S/C14H20N2O2/c1-13(2,11-5-3-4-8-15-11)9-16-12(18)14(10-17)6-7-14/h3-5,8,17H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyHUKUXEDSDOVSEP-UHFFFAOYSA-N
XLogP1.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483
N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182484
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
CID 115185485
4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
CID 119629469
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
CID 116921184
N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 115262628
3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
CID 115122517

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide (CID 115182494) is 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(CO)CC1)c1ccccn1.
What is the InChIKey of 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is HUKUXEDSDOVSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2,11-5-3-4-8-15-11)9-16-12(18)14(10-17)6-7-14/h3-5,8,17H,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).