N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H14N4O — CID 43616172

IUPACN-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cnccn1)C1Cc2ccccc2CN1
InChIInChI=1S/C14H14N4O/c19-14(18-13-9-15-5-6-16-13)12-7-10-3-1-2-4-11(10)8-17-12/h1-6,9,12,17H,7-8H2,(H,16,18,19)
InChIKeyFKEXUJFQXYCNQH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.13
Rot. Bonds2

About N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 43616172) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID43616172
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cnccn1)C1Cc2ccccc2CN1
InChIInChI=1S/C14H14N4O/c19-14(18-13-9-15-5-6-16-13)12-7-10-3-1-2-4-11(10)8-17-12/h1-6,9,12,17H,7-8H2,(H,16,18,19)
InChIKeyFKEXUJFQXYCNQH-UHFFFAOYSA-N
XLogP1.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607872
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylamino)propanoyl]amino]butyl]boronic acid
CID 145962676
2-phenyl-N-(pyrazin-2-yl)butanamide
CID 2970490
2-acetyl-N-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53523009
N-(2-methylbenzyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607668
N-[2-(2-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607662
[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-1-(pyrazin-2-ylamino)propan-2-yl]carbamoylamino]butyl]boronic acid
CID 137650423
[(1R)-3-methyl-1-[[(2R)-1-oxo-3-phenyl-1-(pyrazin-2-ylamino)propan-2-yl]carbamoylamino]butyl]boronic acid
CID 137662206
N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38583226
N-methyl-N-(1-phenylethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 45805959
1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 47064418
N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 53499957

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 43616172) is N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1cnccn1)C1Cc2ccccc2CN1.
What is the InChIKey of N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is FKEXUJFQXYCNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14(18-13-9-15-5-6-16-13)12-7-10-3-1-2-4-11(10)8-17-12/h1-6,9,12,17H,7-8H2,(H,16,18,19).
What are the key properties of N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 43616172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).