8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide

C25H21Cl2N5O — CID 163512853

About 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide

8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide (PubChem CID 163512853) has the molecular formula C25H21Cl2N5O and a molecular weight of 478.38 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
• PubChem CID: 163512853
• Molecular Formula: C25H21Cl2N5O
• Molecular Weight: 478.38 g/mol
• Exact Mass: 477.11
• IUPAC Name: 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
• SMILES: CN(C)c1c(C(=O)N[C@H]2CCc3ncccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)nccc12
• InChI: InChI=1S/C25H21Cl2N5O/c1-32(2)24-18-7-9-29-22(14-10-15(26)12-16(27)11-14)23(18)30-13-19(24)25(33)31-21-6-5-20-17(21)4-3-8-28-20/h3-4,7-13,21H,5-6H2,1-2H3,(H,31,33)/t21-/m0/s1
• InChIKey: DEDORRRDVSEVDH-NRFANRHFSA-N
• XLogP: 5.48
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.38
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

The IUPAC name of 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide (CID 163512853) is 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide.

What is the SMILES notation for 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

The canonical SMILES for 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide is CN(C)c1c(C(=O)N[C@H]2CCc3ncccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)nccc12.

What is the InChIKey of 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

The InChIKey is DEDORRRDVSEVDH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H21Cl2N5O/c1-32(2)24-18-7-9-29-22(14-10-15(26)12-16(27)11-14)23(18)30-13-19(24)25(33)31-21-6-5-20-17(21)4-3-8-28-20/h3-4,7-13,21H,5-6H2,1-2H3,(H,31,33)/t21-/m0/s1.

What are the key properties of 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide has a molecular weight of 478.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 163512853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).