3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C29H31Cl2N5O2 — CID 66798865

IUPAC3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(N(C)C(=O)Nc1cc(Cl)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C29H31Cl2N5O2/c1-34(22-11-15-36(16-12-22)23-9-13-32-14-10-23)28(37)20-4-3-19-5-8-27(24(19)17-20)35(2)29(38)33-26-18-21(30)6-7-25(26)31/h3-4,6-7,9-10,13-14,17-18,22,27H,5,8,11-12,15-16H2,1-2H3,(H,33,38)
InChIKeyJYVKZIHZVKWEMK-UHFFFAOYSA-N
MW552.51 g/mol
LogP6.28
Rot. Bonds5

About 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798865) has the molecular formula C29H31Cl2N5O2 and a molecular weight of 552.51 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798865
Molecular FormulaC29H31Cl2N5O2
Molecular Weight552.51 g/mol
Exact Mass551.19
IUPAC Name3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(N(C)C(=O)Nc1cc(Cl)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C29H31Cl2N5O2/c1-34(22-11-15-36(16-12-22)23-9-13-32-14-10-23)28(37)20-4-3-19-5-8-27(24(19)17-20)35(2)29(38)33-26-18-21(30)6-7-25(26)31/h3-4,6-7,9-10,13-14,17-18,22,27H,5,8,11-12,15-16H2,1-2H3,(H,33,38)
InChIKeyJYVKZIHZVKWEMK-UHFFFAOYSA-N
XLogP6.28
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
CID 56941296
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700523
8-[(2,4-dichlorophenyl)methylcarbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66798757
8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66798520
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-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342
4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 66799026
3-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799010
(3R)-N-methyl-3-(3-methylbutanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799175
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 66798865) is 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)Nc1cc(Cl)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is JYVKZIHZVKWEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N5O2/c1-34(22-11-15-36(16-12-22)23-9-13-32-14-10-23)28(37)20-4-3-19-5-8-27(24(19)17-20)35(2)29(38)33-26-18-21(30)6-7-25(26)31/h3-4,6-7,9-10,13-14,17-18,22,27H,5,8,11-12,15-16H2,1-2H3,(H,33,38).
What are the key properties of 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 552.51 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).