N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline

C16H16N4O — CID 82356328

IUPACN,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCc1cccn2c(N=O)c(-c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C16H16N4O/c1-11-5-4-10-20-15(11)17-14(16(20)18-21)12-6-8-13(9-7-12)19(2)3/h4-10H,1-3H3
InChIKeyHVUYCBJPHMJBJH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds3

About N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline

N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline (PubChem CID 82356328) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline
PubChem CID82356328
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCc1cccn2c(N=O)c(-c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C16H16N4O/c1-11-5-4-10-20-15(11)17-14(16(20)18-21)12-6-8-13(9-7-12)19(2)3/h4-10H,1-3H3
InChIKeyHVUYCBJPHMJBJH-UHFFFAOYSA-N
XLogP3.77
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356291
8-methyl-3-nitroso-2-(4-propylphenyl)imidazo[1,2-a]pyridine
CID 82356334
2-(2,5-dimethoxyphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356316
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942
2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356325
8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
CID 122382361
[3-nitroso-2-(4-propylphenyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 82356589
3-methoxy-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 13211847
2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 5297530
2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 63618640
2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 1040296
8-methyl-2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222293

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline (CID 82356328) is N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline is Cc1cccn2c(N=O)c(-c3ccc(N(C)C)cc3)nc12.
What is the InChIKey of N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline?
The InChIKey is HVUYCBJPHMJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-5-4-10-20-15(11)17-14(16(20)18-21)12-6-8-13(9-7-12)19(2)3/h4-10H,1-3H3.
What are the key properties of N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline?
N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline has a molecular weight of 280.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline is sourced from PubChem (CID 82356328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).