N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide

C19H20N4O3S — CID 109194044

IUPACN-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2ccc(C#N)cc2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N4O3S/c1-2-23(17-9-10-27(25,26)13-17)16-7-8-18(21-12-16)19(24)22-15-5-3-14(11-20)4-6-15/h3-8,12,17H,2,9-10,13H2,1H3,(H,22,24)
InChIKeyYCQXPVXXRMTDOD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.22
Rot. Bonds5

About N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide

N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide (PubChem CID 109194044) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
PubChem CID109194044
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2ccc(C#N)cc2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N4O3S/c1-2-23(17-9-10-27(25,26)13-17)16-7-8-18(21-12-16)19(24)22-15-5-3-14(11-20)4-6-15/h3-8,12,17H,2,9-10,13H2,1H3,(H,22,24)
InChIKeyYCQXPVXXRMTDOD-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261793
N-(4-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-5-carboxamide
CID 109261053
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109194030
2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
CID 113029223
N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
CID 112984282
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310101
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109215799
6-(4-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109352716
N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193318
N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113029197
tert-butyl N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]carbamate
CID 112984308

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide (CID 109194044) is N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide is CCN(c1ccc(C(=O)Nc2ccc(C#N)cc2)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide?
The InChIKey is YCQXPVXXRMTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-23(17-9-10-27(25,26)13-17)16-7-8-18(21-12-16)19(24)22-15-5-3-14(11-20)4-6-15/h3-8,12,17H,2,9-10,13H2,1H3,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide?
N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109194044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).