(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C20H25N3O — CID 68845319

IUPAC(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cn1
InChIInChI=1S/C20H25N3O/c1-2-3-4-9-17-10-11-18(14-21-17)23-20(24)19-12-15-7-5-6-8-16(15)13-22-19/h5-8,10-11,14,19,22H,2-4,9,12-13H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyPTLCUVUSOWJMEI-IBGZPJMESA-N
MW323.44 g/mol
LogP3.47
Rot. Bonds6

About (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 68845319) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID68845319
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cn1
InChIInChI=1S/C20H25N3O/c1-2-3-4-9-17-10-11-18(14-21-17)23-20(24)19-12-15-7-5-6-8-16(15)13-22-19/h5-8,10-11,14,19,22H,2-4,9,12-13H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyPTLCUVUSOWJMEI-IBGZPJMESA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(6-fluoro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103794922
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-[4-(ethylsulfonylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119282551
(3S)-N-butyliodanuidyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 163941327
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
N-octan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43711414
N-[4-(2-hydroxyethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279684
N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75063801
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119270533
N-(3-ethoxy-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119286177
N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62902385

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 68845319) is (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cn1.
What is the InChIKey of (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is PTLCUVUSOWJMEI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-3-4-9-17-10-11-18(14-21-17)23-20(24)19-12-15-7-5-6-8-16(15)13-22-19/h5-8,10-11,14,19,22H,2-4,9,12-13H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 68845319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).