1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone

C15H15N3O — CID 55049769

IUPAC1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15N3O/c1-16-13-6-7-17-14(8-13)15(19)18-9-11-4-2-3-5-12(11)10-18/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyBCESJHUKRBQBCA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.28
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone

1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 55049769) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID55049769
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15N3O/c1-16-13-6-7-17-14(8-13)15(19)18-9-11-4-2-3-5-12(11)10-18/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyBCESJHUKRBQBCA-UHFFFAOYSA-N
XLogP2.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-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

(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109213841
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109213782
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 114681646
4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 62170717

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone (CID 55049769) is 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone is CNc1ccnc(C(=O)N2Cc3ccccc3C2)c1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is BCESJHUKRBQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-16-13-6-7-17-14(8-13)15(19)18-9-11-4-2-3-5-12(11)10-18/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone?
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 253.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 55049769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).