N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H19N3O — CID 81394978

IUPACN-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-9-18-10-7-13)20-17(21)15-4-5-16-14(11-15)3-2-8-19-16/h4-7,9-12,19H,2-3,8H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNZOZMEAIWKQKHS-LBPRGKRZSA-N
MW281.36 g/mol
LogP2.93
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 81394978) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID81394978
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-9-18-10-7-13)20-17(21)15-4-5-16-14(11-15)3-2-8-19-16/h4-7,9-12,19H,2-3,8H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNZOZMEAIWKQKHS-LBPRGKRZSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
2-oxo-N-(1-pyridin-4-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711761
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43534403
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide
CID 163213424
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61482479

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 81394978) is N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is NZOZMEAIWKQKHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-6-9-18-10-7-13)20-17(21)15-4-5-16-14(11-15)3-2-8-19-16/h4-7,9-12,19H,2-3,8H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.93, 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-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 81394978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).