1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea

C14H21N3O3 — CID 111859174

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
SMILESCCn1cc(NC(=O)N(C)CC(O)C2CC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-3-17-8-11(6-7-13(17)19)15-14(20)16(2)9-12(18)10-4-5-10/h6-8,10,12,18H,3-5,9H2,1-2H3,(H,15,20)
InChIKeyAHKPFCVAETWBFH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.10
Rot. Bonds5

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea (PubChem CID 111859174) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
PubChem CID111859174
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
SMILESCCn1cc(NC(=O)N(C)CC(O)C2CC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-3-17-8-11(6-7-13(17)19)15-14(20)16(2)9-12(18)10-4-5-10/h6-8,10,12,18H,3-5,9H2,1-2H3,(H,15,20)
InChIKeyAHKPFCVAETWBFH-UHFFFAOYSA-N
XLogP1.10
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 48739052
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111859231
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
CID 60944027
3-(4-bromo-3-methoxyphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859315
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-prop-2-ynoxyphenyl)urea
CID 71860767
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
3-(4-chloro-3-nitrophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859060

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea (CID 111859174) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea is CCn1cc(NC(=O)N(C)CC(O)C2CC2)ccc1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea?
The InChIKey is AHKPFCVAETWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17-8-11(6-7-13(17)19)15-14(20)16(2)9-12(18)10-4-5-10/h6-8,10,12,18H,3-5,9H2,1-2H3,(H,15,20).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea has a molecular weight of 279.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 111859174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).