2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide

C30H29N5O2 — CID 55912415

IUPAC2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NCc1ccc(N2CCc3ccccc3C2)nc1)NC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N5O2/c36-29(33-26-13-5-2-6-14-26)28(24-10-3-1-4-11-24)34-30(37)32-20-22-15-16-27(31-19-22)35-18-17-23-9-7-8-12-25(23)21-35/h1-16,19,28H,17-18,20-21H2,(H,33,36)(H2,32,34,37)
InChIKeyUCFGLCAKRGLNHQ-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.82
Rot. Bonds7

About 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide

2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide (PubChem CID 55912415) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
PubChem CID55912415
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NCc1ccc(N2CCc3ccccc3C2)nc1)NC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N5O2/c36-29(33-26-13-5-2-6-14-26)28(24-10-3-1-4-11-24)34-30(37)32-20-22-15-16-27(31-19-22)35-18-17-23-9-7-8-12-25(23)21-35/h1-16,19,28H,17-18,20-21H2,(H,33,36)(H2,32,34,37)
InChIKeyUCFGLCAKRGLNHQ-UHFFFAOYSA-N
XLogP4.82
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide with MolForge

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Related Compounds

2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55911766
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 55766918
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(pyrimidin-2-ylamino)urea
CID 87005106
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55801483
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 55799147
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 55792843
3-amino-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 47059036
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
2-(4-chlorophenoxy)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]acetamide
CID 55801034
2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55913182
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide (CID 55912415) is 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide is O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)NC(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The InChIKey is UCFGLCAKRGLNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c36-29(33-26-13-5-2-6-14-26)28(24-10-3-1-4-11-24)34-30(37)32-20-22-15-16-27(31-19-22)35-18-17-23-9-7-8-12-25(23)21-35/h1-16,19,28H,17-18,20-21H2,(H,33,36)(H2,32,34,37).
What are the key properties of 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide has a molecular weight of 491.60 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 55912415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).