N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H20N4O — CID 60937956

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H20N4O/c1-19(10-12-9-18-20(2)11-12)16(21)14-5-6-15-13(8-14)4-3-7-17-15/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3
InChIKeyRFKLSNHQBZUQPP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 60937956) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID60937956
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H20N4O/c1-19(10-12-9-18-20(2)11-12)16(21)14-5-6-15-13(8-14)4-3-7-17-15/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3
InChIKeyRFKLSNHQBZUQPP-UHFFFAOYSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86912091
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43514684
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60939384
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106915205
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitrobenzamide
CID 62681106
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325599

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 60937956) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is RFKLSNHQBZUQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(10-12-9-18-20(2)11-12)16(21)14-5-6-15-13(8-14)4-3-7-17-15/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 60937956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).