N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C30H28Cl2N6O5 — CID 171736691

About N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 171736691) has the molecular formula C30H28Cl2N6O5 and a molecular weight of 623.50 g/mol. Its IUPAC name is N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 171736691
• Molecular Formula: C30H28Cl2N6O5
• Molecular Weight: 623.50 g/mol
• Exact Mass: 622.15
• IUPAC Name: N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(NCC(N)=O)CC2
• InChI: InChI=1S/C30H28Cl2N6O5/c1-37-14-19(29(41)38(2)30(37)42)27(40)35-21-9-5-7-17(26(21)32)16-6-4-8-18(25(16)31)22-12-15-10-11-20(34-13-23(33)39)24(15)28(36-22)43-3/h4-9,12,14,20,34H,10-11,13H2,1-3H3,(H2,33,39)(H,35,40)
• InChIKey: LFYAPCHPSYPKCV-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 150.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 171736691) is N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(NCC(N)=O)CC2.

What is the InChIKey of N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is LFYAPCHPSYPKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2N6O5/c1-37-14-19(29(41)38(2)30(37)42)27(40)35-21-9-5-7-17(26(21)32)16-6-4-8-18(25(16)31)22-12-15-10-11-20(34-13-23(33)39)24(15)28(36-22)43-3/h4-9,12,14,20,34H,10-11,13H2,1-3H3,(H2,33,39)(H,35,40).

What are the key properties of N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 623.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 171736691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).