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

C17H25N3O — CID 63274122

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)C2CCc3ccccc3N2)C1
InChIInChI=1S/C17H25N3O/c1-19-10-9-13(11-19)12-20(2)17(21)16-8-7-14-5-3-4-6-15(14)18-16/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyNTWBDVFBDHFZQE-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.82
Rot. Bonds3

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

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 63274122) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID63274122
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)C2CCc3ccccc3N2)C1
InChIInChI=1S/C17H25N3O/c1-19-10-9-13(11-19)12-20(2)17(21)16-8-7-14-5-3-4-6-15(14)18-16/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyNTWBDVFBDHFZQE-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 54070703
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 82740501
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 63274122) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is CN1CCC(CN(C)C(=O)C2CCc3ccccc3N2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is NTWBDVFBDHFZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-10-9-13(11-19)12-20(2)17(21)16-8-7-14-5-3-4-6-15(14)18-16/h3-6,13,16,18H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 63274122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).