4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

C24H20FN5O2 — CID 58686175

IUPAC4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)ncn2)ccc1F
InChIInChI=1S/C24H20FN5O2/c1-14-8-16(3-6-19(14)25)12-27-23(31)21-10-22(29-13-28-21)24(32)30-20-7-4-17-9-15(11-26)2-5-18(17)20/h2-3,5-6,8-10,13,20H,4,7,12H2,1H3,(H,27,31)(H,30,32)/t20-/m0/s1
InChIKeyXUQJMJUIHHEIJG-FQEVSTJZSA-N
MW429.46 g/mol
LogP3.14
Rot. Bonds5

About 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686175) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
PubChem CID58686175
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)ncn2)ccc1F
InChIInChI=1S/C24H20FN5O2/c1-14-8-16(3-6-19(14)25)12-27-23(31)21-10-22(29-13-28-21)24(32)30-20-7-4-17-9-15(11-26)2-5-18(17)20/h2-3,5-6,8-10,13,20H,4,7,12H2,1H3,(H,27,31)(H,30,32)/t20-/m0/s1
InChIKeyXUQJMJUIHHEIJG-FQEVSTJZSA-N
XLogP3.14
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide with MolForge

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Related Compounds

Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
CID 15052873
CID 145976820
CID 145976820
(R)-N-(5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-4-carboxamide
CID 139412611
6-[(4-cyanophenyl)methyl-methylamino]-N-phenylpyrimidine-4-carboxamide
CID 137656934
4-N-(5-cyano-3,3-difluoro-1,2-dihydroinden-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686287
N-(5-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-methylpyrimidine-4-carboxamide
CID 139412927
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
CID 139413132
US20240216357, Example 239
CID 171744003
N-{[1-(2,3-Dihydro-1H-inden-2-YL)piperidin-4-YL]methyl}pyrimidine-4-carboxamide
CID 56717920
2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide
CID 95219513

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide (CID 58686175) is 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide is Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)ncn2)ccc1F.
What is the InChIKey of 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is XUQJMJUIHHEIJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-14-8-16(3-6-19(14)25)12-27-23(31)21-10-22(29-13-28-21)24(32)30-20-7-4-17-9-15(11-26)2-5-18(17)20/h2-3,5-6,8-10,13,20H,4,7,12H2,1H3,(H,27,31)(H,30,32)/t20-/m0/s1.
What are the key properties of 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 429.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).