3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C31H36ClN5O3 — CID 66799250

About 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66799250) has the molecular formula C31H36ClN5O3 and a molecular weight of 562.11 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 66799250
• Molecular Formula: C31H36ClN5O3
• Molecular Weight: 562.11 g/mol
• Exact Mass: 561.25
• IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21
• InChI: InChI=1S/C31H36ClN5O3/c1-19-15-25(16-20(2)33-19)37-13-11-24(12-14-37)36(3)30(38)22-6-5-21-7-9-27(26(21)17-22)34-31(39)35-28-18-23(32)8-10-29(28)40-4/h5-6,8,10,15-18,24,27H,7,9,11-14H2,1-4H3,(H2,34,35,39)
• InChIKey: XZZHHOMPMBIVNG-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.11
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 66799250) is 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is COc1ccc(Cl)cc1NC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21.

What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is XZZHHOMPMBIVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN5O3/c1-19-15-25(16-20(2)33-19)37-13-11-24(12-14-37)36(3)30(38)22-6-5-21-7-9-27(26(21)17-22)34-31(39)35-28-18-23(32)8-10-29(28)40-4/h5-6,8,10,15-18,24,27H,7,9,11-14H2,1-4H3,(H2,34,35,39).

What are the key properties of 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 562.11 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66799250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).