8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C30H34ClN5O2 — CID 66798520

About 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 66798520) has the molecular formula C30H34ClN5O2 and a molecular weight of 532.09 g/mol. Its IUPAC name is 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 66798520
• Molecular Formula: C30H34ClN5O2
• Molecular Weight: 532.09 g/mol
• Exact Mass: 531.24
• IUPAC Name: 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
• SMILES: Cc1ccc(NC(=O)NC2CCCc3ccc(C(=O)N(C)C4CCN(c5ccncc5)CC4)cc32)cc1Cl
• InChI: InChI=1S/C30H34ClN5O2/c1-20-6-9-23(19-27(20)31)33-30(38)34-28-5-3-4-21-7-8-22(18-26(21)28)29(37)35(2)24-12-16-36(17-13-24)25-10-14-32-15-11-25/h6-11,14-15,18-19,24,28H,3-5,12-13,16-17H2,1-2H3,(H2,33,34,38)
• InChIKey: SSTIFRJNUGFRRC-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.09
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 66798520) is 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cc1ccc(NC(=O)NC2CCCc3ccc(C(=O)N(C)C4CCN(c5ccncc5)CC4)cc32)cc1Cl.

What is the InChIKey of 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?

The InChIKey is SSTIFRJNUGFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O2/c1-20-6-9-23(19-27(20)31)33-30(38)34-28-5-3-4-21-7-8-22(18-26(21)28)29(37)35(2)24-12-16-36(17-13-24)25-10-14-32-15-11-25/h6-11,14-15,18-19,24,28H,3-5,12-13,16-17H2,1-2H3,(H2,33,34,38).

What are the key properties of 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?

8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 532.09 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 66798520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).