N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

C17H25N3O — CID 24702827

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-2-20-11-5-7-14(20)12-18-17(21)16-10-9-13-6-3-4-8-15(13)19-16/h3-4,6,8,14,16,19H,2,5,7,9-12H2,1H3,(H,18,21)
InChIKeyRCANREJQLWDOSU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.01
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 24702827) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID24702827
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-2-20-11-5-7-14(20)12-18-17(21)16-10-9-13-6-3-4-8-15(13)19-16/h3-4,6,8,14,16,19H,2,5,7,9-12H2,1H3,(H,18,21)
InChIKeyRCANREJQLWDOSU-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896090
1-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20876883
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
(8S,13S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-8-(hydroxymethyl)-7,10,15-trioxo-2-oxa-6,9,14-triazabicyclo[14.4.0]icosa-1(20),16,18-triene-13-carboxamide
CID 133075473
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24708170
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76859310
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 24702827) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is CCN1CCCC1CNC(=O)C1CCc2ccccc2N1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is RCANREJQLWDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-20-11-5-7-14(20)12-18-17(21)16-10-9-13-6-3-4-8-15(13)19-16/h3-4,6,8,14,16,19H,2,5,7,9-12H2,1H3,(H,18,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 24702827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).