2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide

C23H23N5O4 — CID 92600791

IUPAC2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)c(C)o1
InChIInChI=1S/C23H23N5O4/c1-13-11-18(14(2)32-13)22(30)25-12-19(29)26-16-8-6-15(7-9-16)20-27-23(31)17-5-4-10-24-21(17)28(20)3/h4-11,20H,12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t20-/m0/s1
InChIKeyZVAHJGHCOIVRTH-FQEVSTJZSA-N
MW433.47 g/mol
LogP2.54
Rot. Bonds5

About 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 92600791) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide
PubChem CID92600791
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)c(C)o1
InChIInChI=1S/C23H23N5O4/c1-13-11-18(14(2)32-13)22(30)25-12-19(29)26-16-8-6-15(7-9-16)20-27-23(31)17-5-4-10-24-21(17)28(20)3/h4-11,20H,12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t20-/m0/s1
InChIKeyZVAHJGHCOIVRTH-FQEVSTJZSA-N
XLogP2.54
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide (CID 92600791) is 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is ZVAHJGHCOIVRTH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-13-11-18(14(2)32-13)22(30)25-12-19(29)26-16-8-6-15(7-9-16)20-27-23(31)17-5-4-10-24-21(17)28(20)3/h4-11,20H,12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t20-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 92600791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).