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'}

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Related Compounds

3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide
CID 166896887
5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide
CID 153370434
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021871
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065

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).