6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide

C18H17ClFN3O2 — CID 166896854

IUPAC6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide
SMILESC=C(CCNC(=O)c1ccc(Cl)nc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O2/c1-12(10-17(24)23-15-5-3-14(20)4-6-15)8-9-21-18(25)13-2-7-16(19)22-11-13/h2-7,11H,1,8-10H2,(H,21,25)(H,23,24)
InChIKeyDSSOKXJACQJFIC-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.58
Rot. Bonds7

About 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide

6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide (PubChem CID 166896854) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide
PubChem CID166896854
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide
SMILESC=C(CCNC(=O)c1ccc(Cl)nc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O2/c1-12(10-17(24)23-15-5-3-14(20)4-6-15)8-9-21-18(25)13-2-7-16(19)22-11-13/h2-7,11H,1,8-10H2,(H,21,25)(H,23,24)
InChIKeyDSSOKXJACQJFIC-UHFFFAOYSA-N
XLogP3.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide 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 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide (CID 166896854) is 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide is C=C(CCNC(=O)c1ccc(Cl)nc1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide?
The InChIKey is DSSOKXJACQJFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-12(10-17(24)23-15-5-3-14(20)4-6-15)8-9-21-18(25)13-2-7-16(19)22-11-13/h2-7,11H,1,8-10H2,(H,21,25)(H,23,24).
What are the key properties of 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide?
6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 166896854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).