N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C23H25FN4O3 — CID 650370

IUPACN-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C23H25FN4O3/c1-4-23(2,3)27-21(29)20(16-7-9-17(24)10-8-16)28(15-18-6-5-13-31-18)22(30)19-14-25-11-12-26-19/h5-14,20H,4,15H2,1-3H3,(H,27,29)
InChIKeyPONWVCRSIBXASB-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.90
Rot. Bonds8

About N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 650370) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID650370
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C23H25FN4O3/c1-4-23(2,3)27-21(29)20(16-7-9-17(24)10-8-16)28(15-18-6-5-13-31-18)22(30)19-14-25-11-12-26-19/h5-14,20H,4,15H2,1-3H3,(H,27,29)
InChIKeyPONWVCRSIBXASB-UHFFFAOYSA-N
XLogP3.90
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 841630
N-[2-(tert-butylamino)-2-oxo-1-pyrazin-2-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003636
N-(1-(Furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)nicotinamide
CID 662725
N-[4-(furan-2-carbonylamino)phenyl]pyrazine-2-carboxamide
CID 704824
7-[(3-acetylphenyl)amino]-6-(2-furylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3237159
N-[2-(5-methyl-2-furyl)-1-({[2-(2-pyridinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 11840058
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 650370) is N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is PONWVCRSIBXASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-4-23(2,3)27-21(29)20(16-7-9-17(24)10-8-16)28(15-18-6-5-13-31-18)22(30)19-14-25-11-12-26-19/h5-14,20H,4,15H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 650370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).