4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide

C17H22N4O2 — CID 167836370

IUPAC4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C17H22N4O2/c1-21(9-6-12-7-10-23-11-8-12)17(22)16-15(18)13-4-2-3-5-14(13)19-20-16/h2-5,12H,6-11H2,1H3,(H2,18,19)
InChIKeyHLFFDTYZIXRETO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide

4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide (PubChem CID 167836370) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide
PubChem CID167836370
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C17H22N4O2/c1-21(9-6-12-7-10-23-11-8-12)17(22)16-15(18)13-4-2-3-5-14(13)19-20-16/h2-5,12H,6-11H2,1H3,(H2,18,19)
InChIKeyHLFFDTYZIXRETO-UHFFFAOYSA-N
XLogP2.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
CID 67104775
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CID 104742327
2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119331843
2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
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2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 25448457
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
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N-methyl-N-[2-(oxan-4-yl)ethyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99620859
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
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4-(oxan-4-yloxy)cinnoline-3-carboxylic acid
CID 64622887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide (CID 167836370) is 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide is CN(CCC1CCOCC1)C(=O)c1nnc2ccccc2c1N.
What is the InChIKey of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide?
The InChIKey is HLFFDTYZIXRETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(9-6-12-7-10-23-11-8-12)17(22)16-15(18)13-4-2-3-5-14(13)19-20-16/h2-5,12H,6-11H2,1H3,(H2,18,19).
What are the key properties of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide?
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide is sourced from PubChem (CID 167836370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).