N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C17H19N3O — CID 81392055

IUPACN-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESC[C@H](NC(=O)C1NCCc2ccccc21)c1ccccn1
InChIInChI=1S/C17H19N3O/c1-12(15-8-4-5-10-18-15)20-17(21)16-14-7-3-2-6-13(14)9-11-19-16/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)/t12-,16?/m0/s1
InChIKeySRVLSONVUCMUDD-HKALDPMFSA-N
MW281.36 g/mol
LogP2.15
Rot. Bonds3

About N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 81392055) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID81392055
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESC[C@H](NC(=O)C1NCCc2ccccc21)c1ccccn1
InChIInChI=1S/C17H19N3O/c1-12(15-8-4-5-10-18-15)20-17(21)16-14-7-3-2-6-13(14)9-11-19-16/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)/t12-,16?/m0/s1
InChIKeySRVLSONVUCMUDD-HKALDPMFSA-N
XLogP2.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide with MolForge

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103815072
N-but-3-yn-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114417295
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 62118209
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
(2S)-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonylamino)pentanoic acid
CID 107565087
N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 63306571
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 81392055) is N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is C[C@H](NC(=O)C1NCCc2ccccc21)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is SRVLSONVUCMUDD-HKALDPMFSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(15-8-4-5-10-18-15)20-17(21)16-14-7-3-2-6-13(14)9-11-19-16/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)/t12-,16?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 81392055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).