N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C17H23N3O — CID 106901425

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)C1CNc2ccccc2C1
InChIInChI=1S/C17H23N3O/c21-17(19-14-7-8-20(11-14)15-5-6-15)13-9-12-3-1-2-4-16(12)18-10-13/h1-4,13-15,18H,5-11H2,(H,19,21)
InChIKeySDKNBAHIXIYMJF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds3

About N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901425) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901425
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)C1CNc2ccccc2C1
InChIInChI=1S/C17H23N3O/c21-17(19-14-7-8-20(11-14)15-5-6-15)13-9-12-3-1-2-4-16(12)18-10-13/h1-4,13-15,18H,5-11H2,(H,19,21)
InChIKeySDKNBAHIXIYMJF-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide
CID 64911727
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901808
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 97151159
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901425) is N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NC1CCN(C2CC2)C1)C1CNc2ccccc2C1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is SDKNBAHIXIYMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(19-14-7-8-20(11-14)15-5-6-15)13-9-12-3-1-2-4-16(12)18-10-13/h1-4,13-15,18H,5-11H2,(H,19,21).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).