3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone

C21H20N4O — CID 109235348

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2cccnc2)c1)N1CCc2ccccc2C1
InChIInChI=1S/C21H20N4O/c26-21(25-9-7-17-5-1-2-6-18(17)15-25)19-10-20(14-23-13-19)24-12-16-4-3-8-22-11-16/h1-6,8,10-11,13-14,24H,7,9,12,15H2
InChIKeyURZSGYUBFVGNNH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.29
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 109235348) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
PubChem CID109235348
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2cccnc2)c1)N1CCc2ccccc2C1
InChIInChI=1S/C21H20N4O/c26-21(25-9-7-17-5-1-2-6-18(17)15-25)19-10-20(14-23-13-19)24-12-16-4-3-8-22-11-16/h1-6,8,10-11,13-14,24H,7,9,12,15H2
InChIKeyURZSGYUBFVGNNH-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109234647
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]methanone
CID 42432452
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236119
3,4-dihydro-1H-isoquinolin-2-yl-[5-(quinolin-8-ylamino)-3-pyridinyl]methanone
CID 109236105
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109236090
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
CID 109105429
tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 75441846

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone (CID 109235348) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone is O=C(c1cncc(NCc2cccnc2)c1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is URZSGYUBFVGNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(25-9-7-17-5-1-2-6-18(17)15-25)19-10-20(14-23-13-19)24-12-16-4-3-8-22-11-16/h1-6,8,10-11,13-14,24H,7,9,12,15H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 344.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109235348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).