3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C31H36ClN5O2 — CID 66799296

IUPAC3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccccc3Cl)CC4)CC2)cc(C)n1
InChIInChI=1S/C31H36ClN5O2/c1-20-17-25(18-21(2)33-20)37-15-13-24(14-16-37)35(3)30(38)23-10-9-22-11-12-29(26(22)19-23)36(4)31(39)34-28-8-6-5-7-27(28)32/h5-10,17-19,24,29H,11-16H2,1-4H3,(H,34,39)
InChIKeyIFFPEYWJLMNYRT-UHFFFAOYSA-N
MW546.12 g/mol
LogP6.24
Rot. Bonds5

About 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66799296) has the molecular formula C31H36ClN5O2 and a molecular weight of 546.12 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66799296
Molecular FormulaC31H36ClN5O2
Molecular Weight546.12 g/mol
Exact Mass545.26
IUPAC Name3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccccc3Cl)CC4)CC2)cc(C)n1
InChIInChI=1S/C31H36ClN5O2/c1-20-17-25(18-21(2)33-20)37-15-13-24(14-16-37)35(3)30(38)23-10-9-22-11-12-29(26(22)19-23)36(4)31(39)34-28-8-6-5-7-27(28)32/h5-10,17-19,24,29H,11-16H2,1-4H3,(H,34,39)
InChIKeyIFFPEYWJLMNYRT-UHFFFAOYSA-N
XLogP6.24
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.12
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798409
3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798865
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
3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66799160
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635
[[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-[2-(trifluoromethyl)phenyl]methanesulfinate
CID 174679783
3-[(2,4-dichlorophenyl)carbamoylamino]-N-(1-isoquinolin-6-ylpiperidin-4-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798549
(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 66798510
(3R)-3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342
3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 77192181
3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505204

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 66799296) is 3-[(2-chlorophenyl)carbamoyl-methylamino]-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-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccccc3Cl)CC4)CC2)cc(C)n1.
What is the InChIKey of 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is IFFPEYWJLMNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN5O2/c1-20-17-25(18-21(2)33-20)37-15-13-24(14-16-37)35(3)30(38)23-10-9-22-11-12-29(26(22)19-23)36(4)31(39)34-28-8-6-5-7-27(28)32/h5-10,17-19,24,29H,11-16H2,1-4H3,(H,34,39).
What are the key properties of 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 546.12 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66799296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).