2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

C28H31N5O3 — CID 66798383

IUPAC2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21
InChIInChI=1S/C28H31N5O3/c1-32(21-11-16-33(17-12-21)22-9-14-29-15-10-22)28(35)20-6-5-19-7-8-25(24(19)18-20)31-26(34)23-4-3-13-30-27(23)36-2/h3-6,9-10,13-15,18,21,25H,7-8,11-12,16-17H2,1-2H3,(H,31,34)/t25-/m1/s1
InChIKeyAYOCKALCSMCLRL-RUZDIDTESA-N
MW485.59 g/mol
LogP3.64
Rot. Bonds6

About 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (PubChem CID 66798383) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
PubChem CID66798383
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21
InChIInChI=1S/C28H31N5O3/c1-32(21-11-16-33(17-12-21)22-9-14-29-15-10-22)28(35)20-6-5-19-7-8-25(24(19)18-20)31-26(34)23-4-3-13-30-27(23)36-2/h3-6,9-10,13-15,18,21,25H,7-8,11-12,16-17H2,1-2H3,(H,31,34)/t25-/m1/s1
InChIKeyAYOCKALCSMCLRL-RUZDIDTESA-N
XLogP3.64
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
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
N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 66798596
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861
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-(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
(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 174679771
N-[7-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 56941149
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-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635
(3R)-3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The IUPAC name of 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) is 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is COc1ncccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21.
What is the InChIKey of 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The InChIKey is AYOCKALCSMCLRL-RUZDIDTESA-N. The full InChI is InChI=1S/C28H31N5O3/c1-32(21-11-16-33(17-12-21)22-9-14-29-15-10-22)28(35)20-6-5-19-7-8-25(24(19)18-20)31-26(34)23-4-3-13-30-27(23)36-2/h3-6,9-10,13-15,18,21,25H,7-8,11-12,16-17H2,1-2H3,(H,31,34)/t25-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66798383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).