5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H23N3O2 — CID 75519799

IUPAC5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NCCc1ccncc1C)C2
InChIInChI=1S/C19H23N3O2/c1-14-12-20-9-6-15(14)7-10-21-19(23)22-11-8-17-16(13-22)4-3-5-18(17)24-2/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,21,23)
InChIKeyCAQRPCWUSHFVNN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.71
Rot. Bonds4

About 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 75519799) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID75519799
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NCCc1ccncc1C)C2
InChIInChI=1S/C19H23N3O2/c1-14-12-20-9-6-15(14)7-10-21-19(23)22-11-8-17-16(13-22)4-3-5-18(17)24-2/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,21,23)
InChIKeyCAQRPCWUSHFVNN-UHFFFAOYSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 109399149
4-(2-methoxyphenyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide
CID 109401145
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
N-[(5-cyano-2-fluorophenyl)methyl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75502037
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402565
(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 136522334
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97349930
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99833597
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936
5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride
CID 19595197
6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124733276

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 75519799) is 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cccc2c1CCN(C(=O)NCCc1ccncc1C)C2.
What is the InChIKey of 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is CAQRPCWUSHFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-12-20-9-6-15(14)7-10-21-19(23)22-11-8-17-16(13-22)4-3-5-18(17)24-2/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 75519799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).