4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide

C17H19N5O2 — CID 143926752

IUPAC4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
SMILESCCOc1nc(Nc2ccc(C(=O)N(C)C)cc2)cc(N)c1C#N
InChIInChI=1S/C17H19N5O2/c1-4-24-16-13(10-18)14(19)9-15(21-16)20-12-7-5-11(6-8-12)17(23)22(2)3/h5-9H,4H2,1-3H3,(H3,19,20,21)
InChIKeyQYVIWPDXKDXGDT-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.38
Rot. Bonds5

About 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide

4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide (PubChem CID 143926752) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
PubChem CID143926752
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
SMILESCCOc1nc(Nc2ccc(C(=O)N(C)C)cc2)cc(N)c1C#N
InChIInChI=1S/C17H19N5O2/c1-4-24-16-13(10-18)14(19)9-15(21-16)20-12-7-5-11(6-8-12)17(23)22(2)3/h5-9H,4H2,1-3H3,(H3,19,20,21)
InChIKeyQYVIWPDXKDXGDT-UHFFFAOYSA-N
XLogP2.38
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
CID 70924880
4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
CID 70924718
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile
CID 143926762
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
4-amino-2-ethoxy-6-[3-hydroxy-4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 143926956
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 11544489
4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide (CID 143926752) is 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide is CCOc1nc(Nc2ccc(C(=O)N(C)C)cc2)cc(N)c1C#N.
What is the InChIKey of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide?
The InChIKey is QYVIWPDXKDXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-24-16-13(10-18)14(19)9-15(21-16)20-12-7-5-11(6-8-12)17(23)22(2)3/h5-9H,4H2,1-3H3,(H3,19,20,21).
What are the key properties of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide?
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 143926752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).