N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C15H17N5O3S — CID 109307464

IUPACN-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C15H17N5O3S/c21-14(19-12-4-8-24(22,23)10-12)13-3-7-17-15(20-13)18-9-11-1-5-16-6-2-11/h1-3,5-7,12H,4,8-10H2,(H,19,21)(H,17,18,20)
InChIKeyUOZUQJNEHSLVFT-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.40
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307464) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307464
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C15H17N5O3S/c21-14(19-12-4-8-24(22,23)10-12)13-3-7-17-15(20-13)18-9-11-1-5-16-6-2-11/h1-3,5-7,12H,4,8-10H2,(H,19,21)(H,17,18,20)
InChIKeyUOZUQJNEHSLVFT-UHFFFAOYSA-N
XLogP0.40
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide 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-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065
N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259247
2-(cycloheptylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309208
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308551
2-(3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309228
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N'-(1,1-dioxothiolan-3-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518237
N-(1,1-dioxothiolan-3-yl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109023938
N-(1,1-dioxothiolan-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191320
6-(benzylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109346488
methyl 3-[[4-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109309271

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307464) is N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccnc(NCc2ccncc2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is UOZUQJNEHSLVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c21-14(19-12-4-8-24(22,23)10-12)13-3-7-17-15(20-13)18-9-11-1-5-16-6-2-11/h1-3,5-7,12H,4,8-10H2,(H,19,21)(H,17,18,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).