2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate

C12H16N2O3 — CID 79346079

IUPAC2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
SMILESO=C(OCCO)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C12H16N2O3/c15-6-7-17-12(16)14(11-3-4-11)9-10-2-1-5-13-8-10/h1-2,5,8,11,15H,3-4,6-7,9H2
InChIKeyQIRUTNDKXHDZHS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.17
Rot. Bonds5

About 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate

2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate (PubChem CID 79346079) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
PubChem CID79346079
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
SMILESO=C(OCCO)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C12H16N2O3/c15-6-7-17-12(16)14(11-3-4-11)9-10-2-1-5-13-8-10/h1-2,5,8,11,15H,3-4,6-7,9H2
InChIKeyQIRUTNDKXHDZHS-UHFFFAOYSA-N
XLogP1.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate
CID 79346471
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate (CID 79346079) is 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate is O=C(OCCO)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is QIRUTNDKXHDZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-6-7-17-12(16)14(11-3-4-11)9-10-2-1-5-13-8-10/h1-2,5,8,11,15H,3-4,6-7,9H2.
What are the key properties of 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate?
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 79346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).