1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid

C18H18ClN3O3 — CID 155288407

IUPAC1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
InChIInChI=1S/C18H18ClN3O3/c1-10(21-18(24)25)14-5-4-12(8-15(14)19)13-6-7-20-16(9-13)22-17(23)11-2-3-11/h4-11,21H,2-3H2,1H3,(H,24,25)(H,20,22,23)
InChIKeyXWXBZVCYFSWRAB-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.08
Rot. Bonds5

About 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid

1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid (PubChem CID 155288407) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
PubChem CID155288407
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
InChIInChI=1S/C18H18ClN3O3/c1-10(21-18(24)25)14-5-4-12(8-15(14)19)13-6-7-20-16(9-13)22-17(23)11-2-3-11/h4-11,21H,2-3H2,1H3,(H,24,25)(H,20,22,23)
InChIKeyXWXBZVCYFSWRAB-UHFFFAOYSA-N
XLogP4.08
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid?
The IUPAC name of 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid (CID 155288407) is 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid is CC(NC(=O)O)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid?
The InChIKey is XWXBZVCYFSWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-10(21-18(24)25)14-5-4-12(8-15(14)19)13-6-7-20-16(9-13)22-17(23)11-2-3-11/h4-11,21H,2-3H2,1H3,(H,24,25)(H,20,22,23).
What are the key properties of 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid?
1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid has a molecular weight of 359.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 155288407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).