4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide

C19H20N4O3S — CID 109215782

IUPAC4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(Nc2cccc(C#N)c2)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N4O3S/c1-2-23(17-7-9-27(25,26)13-17)19(24)18-11-16(6-8-21-18)22-15-5-3-4-14(10-15)12-20/h3-6,8,10-11,17H,2,7,9,13H2,1H3,(H,21,22)
InChIKeyCMYPPNJWRPVKLD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.35
Rot. Bonds5

About 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide

4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide (PubChem CID 109215782) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
PubChem CID109215782
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(Nc2cccc(C#N)c2)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N4O3S/c1-2-23(17-7-9-27(25,26)13-17)19(24)18-11-16(6-8-21-18)22-15-5-3-4-14(10-15)12-20/h3-6,8,10-11,17H,2,7,9,13H2,1H3,(H,21,22)
InChIKeyCMYPPNJWRPVKLD-UHFFFAOYSA-N
XLogP2.35
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109310146
6-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109373001
6-(4-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109352716
3-[[4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112897642
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211275
6-(4-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109373002
N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 109003480
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109205296
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079803
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082837

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide (CID 109215782) is 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide is CCN(C(=O)c1cc(Nc2cccc(C#N)c2)ccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
The InChIKey is CMYPPNJWRPVKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-23(17-7-9-27(25,26)13-17)19(24)18-11-16(6-8-21-18)22-15-5-3-4-14(10-15)12-20/h3-6,8,10-11,17H,2,7,9,13H2,1H3,(H,21,22).
What are the key properties of 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109215782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).