2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide

C23H24N6O2 — CID 123903309

IUPAC2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cncc(C)c1)c1cc(-c2cncc(NC(=O)N(C)C)c2)ccc1N
InChIInChI=1S/C23H24N6O2/c1-14-7-18(12-25-10-14)27-22(30)15(2)20-9-16(5-6-21(20)24)17-8-19(13-26-11-17)28-23(31)29(3)4/h5-13H,2,24H2,1,3-4H3,(H,27,30)(H,28,31)
InChIKeyUWQZHKNSQJZCGN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.78
Rot. Bonds5

About 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide

2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide (PubChem CID 123903309) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide
PubChem CID123903309
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cncc(C)c1)c1cc(-c2cncc(NC(=O)N(C)C)c2)ccc1N
InChIInChI=1S/C23H24N6O2/c1-14-7-18(12-25-10-14)27-22(30)15(2)20-9-16(5-6-21(20)24)17-8-19(13-26-11-17)28-23(31)29(3)4/h5-13H,2,24H2,1,3-4H3,(H,27,30)(H,28,31)
InChIKeyUWQZHKNSQJZCGN-UHFFFAOYSA-N
XLogP3.78
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-amino-3-[3-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-oxoprop-1-en-2-yl]phenyl]-3-pyridinyl]cyclopropanecarboxamide
CID 166774366
N-[3-[[2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-2-iminoacetyl]amino]-4-pyridinyl]cyclopropanecarboxamide
CID 123229665
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458952
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
N-[3-[2-amino-5-[5-(but-1-en-2-ylamino)-3-pyridinyl]phenyl]buta-1,3-dien-2-yl]-5-(3-fluorophenyl)-4-methylpyridin-3-amine;ethane
CID 145308449
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide (CID 123903309) is 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide is C=C(C(=O)Nc1cncc(C)c1)c1cc(-c2cncc(NC(=O)N(C)C)c2)ccc1N.
What is the InChIKey of 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide?
The InChIKey is UWQZHKNSQJZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-7-18(12-25-10-14)27-22(30)15(2)20-9-16(5-6-21(20)24)17-8-19(13-26-11-17)28-23(31)29(3)4/h5-13H,2,24H2,1,3-4H3,(H,27,30)(H,28,31).
What are the key properties of 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide?
2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide has a molecular weight of 416.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]phenyl]-N-(5-methyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 123903309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).