N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C28H30N4O3S — CID 130249601

About N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130249601) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 130249601
• Molecular Formula: C28H30N4O3S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.20
• IUPAC Name: N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• SMILES: CC[C@H]1COCCN1c1cccc(C(=O)N2CCc3cc(C(=O)NC4CC4)sc3-c3ccccc32)n1
• InChI: InChI=1S/C28H30N4O3S/c1-2-20-17-35-15-14-31(20)25-9-5-7-22(30-25)28(34)32-13-12-18-16-24(27(33)29-19-10-11-19)36-26(18)21-6-3-4-8-23(21)32/h3-9,16,19-20H,2,10-15,17H2,1H3,(H,29,33)/t20-/m0/s1
• InChIKey: FKAMDCAHRQXGHM-FQEVSTJZSA-N
• XLogP: 4.52
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130249601) is N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is CC[C@H]1COCCN1c1cccc(C(=O)N2CCc3cc(C(=O)NC4CC4)sc3-c3ccccc32)n1.

What is the InChIKey of N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is FKAMDCAHRQXGHM-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-2-20-17-35-15-14-31(20)25-9-5-7-22(30-25)28(34)32-13-12-18-16-24(27(33)29-19-10-11-19)36-26(18)21-6-3-4-8-23(21)32/h3-9,16,19-20H,2,10-15,17H2,1H3,(H,29,33)/t20-/m0/s1.

What are the key properties of N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130249601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).