N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide

C40H50ClFN6O4 — CID 177340502

About N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide

N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide (PubChem CID 177340502) has the molecular formula C40H50ClFN6O4 and a molecular weight of 733.33 g/mol. Its IUPAC name is N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide
• PubChem CID: 177340502
• Molecular Formula: C40H50ClFN6O4
• Molecular Weight: 733.33 g/mol
• Exact Mass: 732.36
• IUPAC Name: N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide
• SMILES: C=C1N(C)C=C(C(=O)Nc2ccc(F)c(-c3cccc(-c4cc5c(c(OC)n4)CCC5)c3Cl)c2C)C(=O)N1C.CCC(CCNC)NC(=O)C(C)C
• InChI: InChI=1S/C30H28ClFN4O3.C10H22N2O/c1-16-24(33-28(37)22-15-35(3)17(2)36(4)30(22)38)13-12-23(32)26(16)21-11-7-10-20(27(21)31)25-14-18-8-6-9-19(18)29(34-25)39-5;1-5-9(6-7-11-4)12-10(13)8(2)3/h7,10-15H,2,6,8-9H2,1,3-5H3,(H,33,37);8-9,11H,5-7H2,1-4H3,(H,12,13)
• InChIKey: WTYJQMAFSLEKHX-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.33
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide?

The IUPAC name of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide (CID 177340502) is N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide.

What is the SMILES notation for N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide?

The canonical SMILES for N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide is C=C1N(C)C=C(C(=O)Nc2ccc(F)c(-c3cccc(-c4cc5c(c(OC)n4)CCC5)c3Cl)c2C)C(=O)N1C.CCC(CCNC)NC(=O)C(C)C.

What is the InChIKey of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide?

The InChIKey is WTYJQMAFSLEKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN4O3.C10H22N2O/c1-16-24(33-28(37)22-15-35(3)17(2)36(4)30(22)38)13-12-23(32)26(16)21-11-7-10-20(27(21)31)25-14-18-8-6-9-19(18)29(34-25)39-5;1-5-9(6-7-11-4)12-10(13)8(2)3/h7,10-15H,2,6,8-9H2,1,3-5H3,(H,33,37);8-9,11H,5-7H2,1-4H3,(H,12,13).

What are the key properties of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide?

N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide has a molecular weight of 733.33 g/mol, XLogP of 6.86, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;2-methyl-N-[1-(methylamino)pentan-3-yl]propanamide is sourced from PubChem (CID 177340502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).