6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

C32H36N6O2 — CID 123930151

About 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (PubChem CID 123930151) has the molecular formula C32H36N6O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
• PubChem CID: 123930151
• Molecular Formula: C32H36N6O2
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.29
• IUPAC Name: 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
• SMILES: CCC1=C(C(=O)Nc2ccc(CN3CCCCC3)nc2)c2cc(-c3cncc(NC(=O)C4CC4)c3)ccc2NC1
• InChI: InChI=1S/C32H36N6O2/c1-2-21-17-35-29-11-8-23(24-14-27(18-33-16-24)37-31(39)22-6-7-22)15-28(29)30(21)32(40)36-25-9-10-26(34-19-25)20-38-12-4-3-5-13-38/h8-11,14-16,18-19,22,35H,2-7,12-13,17,20H2,1H3,(H,36,40)(H,37,39)
• InChIKey: HRJCIJYVHSNEFQ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 99.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

The IUPAC name of 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (CID 123930151) is 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.

What is the SMILES notation for 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

The canonical SMILES for 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is CCC1=C(C(=O)Nc2ccc(CN3CCCCC3)nc2)c2cc(-c3cncc(NC(=O)C4CC4)c3)ccc2NC1.

What is the InChIKey of 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

The InChIKey is HRJCIJYVHSNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O2/c1-2-21-17-35-29-11-8-23(24-14-27(18-33-16-24)37-31(39)22-6-7-22)15-28(29)30(21)32(40)36-25-9-10-26(34-19-25)20-38-12-4-3-5-13-38/h8-11,14-16,18-19,22,35H,2-7,12-13,17,20H2,1H3,(H,36,40)(H,37,39).

What are the key properties of 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 536.68 g/mol, XLogP of 5.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 123930151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).