8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide

C25H21Cl2N5O2 — CID 154951312

About 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide

8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide (PubChem CID 154951312) has the molecular formula C25H21Cl2N5O2 and a molecular weight of 494.38 g/mol. Its IUPAC name is 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
• PubChem CID: 154951312
• Molecular Formula: C25H21Cl2N5O2
• Molecular Weight: 494.38 g/mol
• Exact Mass: 493.11
• IUPAC Name: 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
• SMILES: CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3ncc(Cl)cc3Cl)nccc12
• InChI: InChI=1S/C25H21Cl2N5O2/c1-32(2)24-16-7-9-28-23(22-18(27)11-14(26)12-29-22)21(16)30-13-17(24)25(33)31-19-8-10-34-20-6-4-3-5-15(19)20/h3-7,9,11-13,19H,8,10H2,1-2H3,(H,31,33)/t19-/m0/s1
• InChIKey: ZTERJTYDOWHEBJ-IBGZPJMESA-N
• XLogP: 5.32
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.38
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

The IUPAC name of 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide (CID 154951312) is 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide.

What is the SMILES notation for 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

The canonical SMILES for 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide is CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3ncc(Cl)cc3Cl)nccc12.

What is the InChIKey of 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

The InChIKey is ZTERJTYDOWHEBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H21Cl2N5O2/c1-32(2)24-16-7-9-28-23(22-18(27)11-14(26)12-29-22)21(16)30-13-17(24)25(33)31-19-8-10-34-20-6-4-3-5-15(19)20/h3-7,9,11-13,19H,8,10H2,1-2H3,(H,31,33)/t19-/m0/s1.

What are the key properties of 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?

8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide has a molecular weight of 494.38 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 154951312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).