4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid

C18H20FN5O4 — CID 69449619

IUPAC4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCOc1ccc(F)cc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C18H20FN5O4/c1-28-15-4-2-12(19)10-14(15)22-17(25)21-13-3-5-16(20-11-13)23-6-8-24(9-7-23)18(26)27/h2-5,10-11H,6-9H2,1H3,(H,26,27)(H2,21,22,25)
InChIKeyFOSFQWCPSVIOJS-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.67
Rot. Bonds4

About 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 69449619) has the molecular formula C18H20FN5O4 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID69449619
Molecular FormulaC18H20FN5O4
Molecular Weight389.39 g/mol
Exact Mass389.15
IUPAC Name4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCOc1ccc(F)cc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C18H20FN5O4/c1-28-15-4-2-12(19)10-14(15)22-17(25)21-13-3-5-16(20-11-13)23-6-8-24(9-7-23)18(26)27/h2-5,10-11H,6-9H2,1H3,(H,26,27)(H2,21,22,25)
InChIKeyFOSFQWCPSVIOJS-UHFFFAOYSA-N
XLogP2.67
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic 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 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid (CID 69449619) is 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid is COc1ccc(F)cc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)nc1.
What is the InChIKey of 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is FOSFQWCPSVIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O4/c1-28-15-4-2-12(19)10-14(15)22-17(25)21-13-3-5-16(20-11-13)23-6-8-24(9-7-23)18(26)27/h2-5,10-11H,6-9H2,1H3,(H,26,27)(H2,21,22,25).
What are the key properties of 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 389.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69449619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).