(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C28H29ClN4O2 — CID 66798270

IUPAC(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H29ClN4O2/c1-32(21-12-16-33(17-13-21)22-10-14-30-15-11-22)28(35)20-7-6-19-8-9-26(24(19)18-20)31-27(34)23-4-2-3-5-25(23)29/h2-7,10-11,14-15,18,21,26H,8-9,12-13,16-17H2,1H3,(H,31,34)/t26-/m1/s1
InChIKeySQGHJEMHLJMOKM-AREMUKBSSA-N
MW489.02 g/mol
LogP4.89
Rot. Bonds5

About (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798270) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798270
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC Name(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H29ClN4O2/c1-32(21-12-16-33(17-13-21)22-10-14-30-15-11-22)28(35)20-7-6-19-8-9-26(24(19)18-20)31-27(34)23-4-2-3-5-25(23)29/h2-7,10-11,14-15,18,21,26H,8-9,12-13,16-17H2,1H3,(H,31,34)/t26-/m1/s1
InChIKeySQGHJEMHLJMOKM-AREMUKBSSA-N
XLogP4.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635
2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 66798383
3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 77192181
N-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-3-[(2-chlorobenzoyl)amino]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 77192197
N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 66798596
(3R)-3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56941586
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798745
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66805474
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66798989
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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 66798270) is (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is SQGHJEMHLJMOKM-AREMUKBSSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c1-32(21-12-16-33(17-13-21)22-10-14-30-15-11-22)28(35)20-7-6-19-8-9-26(24(19)18-20)31-27(34)23-4-2-3-5-25(23)29/h2-7,10-11,14-15,18,21,26H,8-9,12-13,16-17H2,1H3,(H,31,34)/t26-/m1/s1.
What are the key properties of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).