N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide

C14H21N3O3S — CID 104641420

IUPACN-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NC2CCCS(=O)(=O)C2)nc1
InChIInChI=1S/C14H21N3O3S/c1-2-7-15-11-5-6-13(16-9-11)14(18)17-12-4-3-8-21(19,20)10-12/h5-6,9,12,15H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyYLFYUSFYGNIXNH-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.21
Rot. Bonds5

About N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide

N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104641420) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104641420
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NC2CCCS(=O)(=O)C2)nc1
InChIInChI=1S/C14H21N3O3S/c1-2-7-15-11-5-6-13(16-9-11)14(18)17-12-4-3-8-21(19,20)10-12/h5-6,9,12,15H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyYLFYUSFYGNIXNH-UHFFFAOYSA-N
XLogP1.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
N-(1,1-dioxothiolan-3-yl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109193090
N-(1,1-dioxothiolan-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191320
N-(2-methyloxolan-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641948
5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
N-(1,1-dioxothiolan-3-yl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338288
5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186783
4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666460
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide (CID 104641420) is N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NC2CCCS(=O)(=O)C2)nc1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is YLFYUSFYGNIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-7-15-11-5-6-13(16-9-11)14(18)17-12-4-3-8-21(19,20)10-12/h5-6,9,12,15H,2-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide?
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).