N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide

C19H20N4O — CID 157020250

IUPACN,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide
SMILESCc1cc2c(Nc3ccc(CC(=O)N(C)C)cc3)cccc2nn1
InChIInChI=1S/C19H20N4O/c1-13-11-16-17(5-4-6-18(16)22-21-13)20-15-9-7-14(8-10-15)12-19(24)23(2)3/h4-11,20H,12H2,1-3H3
InChIKeyVSRRYVWCQQGECX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.31
Rot. Bonds4

About N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide

N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide (PubChem CID 157020250) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide
PubChem CID157020250
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide
SMILESCc1cc2c(Nc3ccc(CC(=O)N(C)C)cc3)cccc2nn1
InChIInChI=1S/C19H20N4O/c1-13-11-16-17(5-4-6-18(16)22-21-13)20-15-9-7-14(8-10-15)12-19(24)23(2)3/h4-11,20H,12H2,1-3H3
InChIKeyVSRRYVWCQQGECX-UHFFFAOYSA-N
XLogP3.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide
CID 157011392
1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea
CID 6409921
methyl 3-[4-[2-(dimethylamino)-2-oxoethyl]anilino]benzoate
CID 157018002
N,N-dimethyl-2-(4-quinolin-5-ylphenyl)acetamide
CID 119074954
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide
CID 157016920
N-(3-methylcinnolin-5-yl)-2-phenylbenzamide
CID 59643758
1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea
CID 72880882
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N,N-dimethyl-2-[4-(pentan-3-ylamino)phenyl]acetamide
CID 43720783
N,N-dimethyl-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)phenyl]acetamide
CID 157012477
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide (CID 157020250) is N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide is Cc1cc2c(Nc3ccc(CC(=O)N(C)C)cc3)cccc2nn1.
What is the InChIKey of N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide?
The InChIKey is VSRRYVWCQQGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-11-16-17(5-4-6-18(16)22-21-13)20-15-9-7-14(8-10-15)12-19(24)23(2)3/h4-11,20H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide?
N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide is sourced from PubChem (CID 157020250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).