1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C14H14ClN3O2 — CID 103094731

IUPAC1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)Nc2ncccc2Cl)cc1
InChIInChI=1S/C14H14ClN3O2/c1-9(19)10-4-6-11(7-5-10)17-14(20)18-13-12(15)3-2-8-16-13/h2-9,19H,1H3,(H2,16,17,18,20)
InChIKeySVDOAFNFJGBSSE-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 103094731) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID103094731
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)Nc2ncccc2Cl)cc1
InChIInChI=1S/C14H14ClN3O2/c1-9(19)10-4-6-11(7-5-10)17-14(20)18-13-12(15)3-2-8-16-13/h2-9,19H,1H3,(H2,16,17,18,20)
InChIKeySVDOAFNFJGBSSE-UHFFFAOYSA-N
XLogP3.43
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 103094731) is 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea is CC(O)c1ccc(NC(=O)Nc2ncccc2Cl)cc1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is SVDOAFNFJGBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9(19)10-4-6-11(7-5-10)17-14(20)18-13-12(15)3-2-8-16-13/h2-9,19H,1H3,(H2,16,17,18,20).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 291.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 103094731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).