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

C32H36N4O2 — CID 66798989

IUPACN-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCc3ccccc31)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C32H36N4O2/c1-35(25-15-19-36(20-16-25)26-13-17-33-18-14-26)32(38)24-10-9-23-11-12-30(29(23)21-24)34-31(37)28-8-4-6-22-5-2-3-7-27(22)28/h2-3,5,7,9-10,13-14,17-18,21,25,28,30H,4,6,8,11-12,15-16,19-20H2,1H3,(H,34,37)/t28?,30-/m1/s1
InChIKeyMFJHCDNVCOKOAJ-FUJFQHJFSA-N
MW508.67 g/mol
LogP5.05
Rot. Bonds5

About 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

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 (PubChem CID 66798989) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID66798989
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC NameN-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCc3ccccc31)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C32H36N4O2/c1-35(25-15-19-36(20-16-25)26-13-17-33-18-14-26)32(38)24-10-9-23-11-12-30(29(23)21-24)34-31(37)28-8-4-6-22-5-2-3-7-27(22)28/h2-3,5,7,9-10,13-14,17-18,21,25,28,30H,4,6,8,11-12,15-16,19-20H2,1H3,(H,34,37)/t28?,30-/m1/s1
InChIKeyMFJHCDNVCOKOAJ-FUJFQHJFSA-N
XLogP5.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCc3ccccc31)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 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?
The InChIKey is MFJHCDNVCOKOAJ-FUJFQHJFSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-35(25-15-19-36(20-16-25)26-13-17-33-18-14-26)32(38)24-10-9-23-11-12-30(29(23)21-24)34-31(37)28-8-4-6-22-5-2-3-7-27(22)28/h2-3,5,7,9-10,13-14,17-18,21,25,28,30H,4,6,8,11-12,15-16,19-20H2,1H3,(H,34,37)/t28?,30-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 508.67 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66798989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).