N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide

C19H19N5O2 — CID 122144073

IUPACN-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide
SMILESN#CCC1(CN2C(=O)CCc3cc(NC(=O)c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C19H19N5O2/c20-8-7-19(5-6-19)12-24-16-3-2-15(9-13(16)1-4-17(24)25)23-18(26)14-10-21-22-11-14/h2-3,9-11H,1,4-7,12H2,(H,21,22)(H,23,26)
InChIKeyHVFBKTVVKJRDST-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.64
Rot. Bonds5

About N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide

N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide (PubChem CID 122144073) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide
PubChem CID122144073
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide
SMILESN#CCC1(CN2C(=O)CCc3cc(NC(=O)c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C19H19N5O2/c20-8-7-19(5-6-19)12-24-16-3-2-15(9-13(16)1-4-17(24)25)23-18(26)14-10-21-22-11-14/h2-3,9-11H,1,4-7,12H2,(H,21,22)(H,23,26)
InChIKeyHVFBKTVVKJRDST-UHFFFAOYSA-N
XLogP2.64
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711268
N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide
CID 167939301
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
CID 71842967
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 100635884
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide (CID 122144073) is N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide is N#CCC1(CN2C(=O)CCc3cc(NC(=O)c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is HVFBKTVVKJRDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-8-7-19(5-6-19)12-24-16-3-2-15(9-13(16)1-4-17(24)25)23-18(26)14-10-21-22-11-14/h2-3,9-11H,1,4-7,12H2,(H,21,22)(H,23,26).
What are the key properties of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide?
N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122144073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).