6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C15H17N5O3S — CID 109349998

IUPAC6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C15H17N5O3S/c21-15(17-8-11-2-1-4-16-7-11)13-6-14(19-10-18-13)20-12-3-5-24(22,23)9-12/h1-2,4,6-7,10,12H,3,5,8-9H2,(H,17,21)(H,18,19,20)
InChIKeyGCIXKZGPTRWEAO-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.40
Rot. Bonds5

About 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109349998) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109349998
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C15H17N5O3S/c21-15(17-8-11-2-1-4-16-7-11)13-6-14(19-10-18-13)20-12-3-5-24(22,23)9-12/h1-2,4,6-7,10,12H,3,5,8-9H2,(H,17,21)(H,18,19,20)
InChIKeyGCIXKZGPTRWEAO-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

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283221
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348391
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346920
6-(benzylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109346488
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42655880
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121378
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
6-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112858744
N-(1,1-dioxothiolan-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191320
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350057

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109349998) is 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1cc(NC2CCS(=O)(=O)C2)ncn1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is GCIXKZGPTRWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c21-15(17-8-11-2-1-4-16-7-11)13-6-14(19-10-18-13)20-12-3-5-24(22,23)9-12/h1-2,4,6-7,10,12H,3,5,8-9H2,(H,17,21)(H,18,19,20).
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)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 6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).