[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C25H27N3O — CID 109213766

IUPAC[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC(C)N(Cc1ccccc1)c1ccnc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C25H27N3O/c1-19(2)28(17-20-8-4-3-5-9-20)23-12-14-26-24(16-23)25(29)27-15-13-21-10-6-7-11-22(21)18-27/h3-12,14,16,19H,13,15,17-18H2,1-2H3
InChIKeyNMBIWEXCPAYIGZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.70
Rot. Bonds5

About [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109213766) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109213766
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC(C)N(Cc1ccccc1)c1ccnc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C25H27N3O/c1-19(2)28(17-20-8-4-3-5-9-20)23-12-14-26-24(16-23)25(29)27-15-13-21-10-6-7-11-22(21)18-27/h3-12,14,16,19H,13,15,17-18H2,1-2H3
InChIKeyNMBIWEXCPAYIGZ-UHFFFAOYSA-N
XLogP4.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109085689
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502
N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108988971
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]methanol
CID 61254549
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184622
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109213766) is [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC(C)N(Cc1ccccc1)c1ccnc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is NMBIWEXCPAYIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-19(2)28(17-20-8-4-3-5-9-20)23-12-14-26-24(16-23)25(29)27-15-13-21-10-6-7-11-22(21)18-27/h3-12,14,16,19H,13,15,17-18H2,1-2H3.
What are the key properties of [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109213766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).