(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C28H36N4O2 — CID 66798510

IUPAC(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C3CCCC3)CC4)CC2)ccn1
InChIInChI=1S/C28H36N4O2/c1-19-17-24(11-14-29-19)32-15-12-23(13-16-32)31(2)28(34)22-8-7-20-9-10-26(25(20)18-22)30-27(33)21-5-3-4-6-21/h7-8,11,14,17-18,21,23,26H,3-6,9-10,12-13,15-16H2,1-2H3,(H,30,33)/t26-/m1/s1
InChIKeyFAOOCCGRNQBTNP-AREMUKBSSA-N
MW460.62 g/mol
LogP4.42
Rot. Bonds5

About (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798510) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798510
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C3CCCC3)CC4)CC2)ccn1
InChIInChI=1S/C28H36N4O2/c1-19-17-24(11-14-29-19)32-15-12-23(13-16-32)31(2)28(34)22-8-7-20-9-10-26(25(20)18-22)30-27(33)21-5-3-4-6-21/h7-8,11,14,17-18,21,23,26H,3-6,9-10,12-13,15-16H2,1-2H3,(H,30,33)/t26-/m1/s1
InChIKeyFAOOCCGRNQBTNP-AREMUKBSSA-N
XLogP4.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 123728898
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
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
(3R)-N-methyl-3-(3-methylbutanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799175
3-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799010
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861
(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 174679771
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
[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate
CID 66825814
N-[7-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 56941149
(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
8-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66799083

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 66798510) is (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C3CCCC3)CC4)CC2)ccn1.
What is the InChIKey of (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is FAOOCCGRNQBTNP-AREMUKBSSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-19-17-24(11-14-29-19)32-15-12-23(13-16-32)31(2)28(34)22-8-7-20-9-10-26(25(20)18-22)30-27(33)21-5-3-4-6-21/h7-8,11,14,17-18,21,23,26H,3-6,9-10,12-13,15-16H2,1-2H3,(H,30,33)/t26-/m1/s1.
What are the key properties of (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).