N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H20N4O — CID 65262436

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCn1ccnc1CCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H20N4O/c1-20-9-8-18-15(20)6-7-19-16(21)14-11-17-10-12-4-2-3-5-13(12)14/h2-5,8-9,14,17H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyIHCVAESTJCNPJL-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.97
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262436) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262436
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCn1ccnc1CCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H20N4O/c1-20-9-8-18-15(20)6-7-19-16(21)14-11-17-10-12-4-2-3-5-13(12)14/h2-5,8-9,14,17H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyIHCVAESTJCNPJL-UHFFFAOYSA-N
XLogP0.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262599
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 80572556
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79377587
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262436) is N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cn1ccnc1CCNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is IHCVAESTJCNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-9-8-18-15(20)6-7-19-16(21)14-11-17-10-12-4-2-3-5-13(12)14/h2-5,8-9,14,17H,6-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).