N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide

C16H17N3O3S — CID 112505754

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C16H17N3O3S/c1-12-11-14(18-16(20)13-5-7-17-8-6-13)3-4-15(12)19-9-2-10-23(19,21)22/h3-8,11H,2,9-10H2,1H3,(H,18,20)
InChIKeyUHUMLRDQWUVCEW-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.18
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide (PubChem CID 112505754) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
PubChem CID112505754
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C16H17N3O3S/c1-12-11-14(18-16(20)13-5-7-17-8-6-13)3-4-15(12)19-9-2-10-23(19,21)22/h3-8,11H,2,9-10H2,1H3,(H,18,20)
InChIKeyUHUMLRDQWUVCEW-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-6-fluorobenzamide
CID 112505756
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-nitrophenyl)benzamide
CID 7685954
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 7685953
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide (CID 112505754) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide is Cc1cc(NC(=O)c2ccncc2)ccc1N1CCCS1(=O)=O.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide?
The InChIKey is UHUMLRDQWUVCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-11-14(18-16(20)13-5-7-17-8-6-13)3-4-15(12)19-9-2-10-23(19,21)22/h3-8,11H,2,9-10H2,1H3,(H,18,20).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 112505754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).