5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide

C18H17N5O2 — CID 163231567

IUPAC5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide
SMILESCc1ccc(NC(N)=O)cc1C(=O)NCc1cnc2ccccc2n1
InChIInChI=1S/C18H17N5O2/c1-11-6-7-12(23-18(19)25)8-14(11)17(24)21-10-13-9-20-15-4-2-3-5-16(15)22-13/h2-9H,10H2,1H3,(H,21,24)(H3,19,23,25)
InChIKeyVYCGXDFYXCWCHK-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.36
Rot. Bonds4

About 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide

5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide (PubChem CID 163231567) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide
PubChem CID163231567
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide
SMILESCc1ccc(NC(N)=O)cc1C(=O)NCc1cnc2ccccc2n1
InChIInChI=1S/C18H17N5O2/c1-11-6-7-12(23-18(19)25)8-14(11)17(24)21-10-13-9-20-15-4-2-3-5-16(15)22-13/h2-9H,10H2,1H3,(H,21,24)(H3,19,23,25)
InChIKeyVYCGXDFYXCWCHK-UHFFFAOYSA-N
XLogP2.36
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-(quinolin-2-ylmethyl)benzamide
CID 163231885
ethyl N-(quinoxalin-2-ylmethyl)carbamate
CID 110869614
2-(quinoxalin-2-ylmethylamino)ethyl carbamate
CID 83211992
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate
CID 64578319
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
(3-methylquinolin-2-yl)urea
CID 141055729
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
CID 131912464
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide?
The IUPAC name of 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide (CID 163231567) is 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide?
The canonical SMILES for 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide is Cc1ccc(NC(N)=O)cc1C(=O)NCc1cnc2ccccc2n1.
What is the InChIKey of 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide?
The InChIKey is VYCGXDFYXCWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-6-7-12(23-18(19)25)8-14(11)17(24)21-10-13-9-20-15-4-2-3-5-16(15)22-13/h2-9H,10H2,1H3,(H,21,24)(H3,19,23,25).
What are the key properties of 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide?
5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide has a molecular weight of 335.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-2-methyl-N-(quinoxalin-2-ylmethyl)benzamide is sourced from PubChem (CID 163231567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).