N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide

C16H20N4O2 — CID 21241423

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide
SMILESCN1CCCC1CCNC(=O)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C16H20N4O2/c1-20-10-4-5-11(20)8-9-17-16(22)14-15(21)12-6-2-3-7-13(12)18-19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,22)(H,18,21)
InChIKeyVGCGFGCTYARCJC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide (PubChem CID 21241423) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide
PubChem CID21241423
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide
SMILESCN1CCCC1CCNC(=O)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C16H20N4O2/c1-20-10-4-5-11(20)8-9-17-16(22)14-15(21)12-6-2-3-7-13(12)18-19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,22)(H,18,21)
InChIKeyVGCGFGCTYARCJC-UHFFFAOYSA-N
XLogP1.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1H-indazole-3-carboxamide
CID 154737859
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159942
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159944
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide
CID 126785760
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119621235
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide (CID 21241423) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide is CN1CCCC1CCNC(=O)c1n[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide?
The InChIKey is VGCGFGCTYARCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-10-4-5-11(20)8-9-17-16(22)14-15(21)12-6-2-3-7-13(12)18-19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 21241423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).