N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide

C24H24FN3O3 — CID 3191388

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c25-18-8-10-20(11-9-18)28(24(30)21-7-4-16-31-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-1-3-6-19/h4,7-16,19,22H,1-3,5-6H2,(H,27,29)
InChIKeyLQZGYLHPCGOTHJ-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 3191388) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID3191388
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c25-18-8-10-20(11-9-18)28(24(30)21-7-4-16-31-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-1-3-6-19/h4,7-16,19,22H,1-3,5-6H2,(H,27,29)
InChIKeyLQZGYLHPCGOTHJ-UHFFFAOYSA-N
XLogP4.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
(2Z)-3-(Furan-2-YL)-2-(phenylformamido)-N-[2-(pyridin-2-YL)ethyl]prop-2-enamide
CID 5765256
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-32
CID 156906917

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 3191388) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide is O=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is LQZGYLHPCGOTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-18-8-10-20(11-9-18)28(24(30)21-7-4-16-31-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-1-3-6-19/h4,7-16,19,22H,1-3,5-6H2,(H,27,29).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3191388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).