N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C19H25N3O3S — CID 136526904

IUPACN-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)C1CSCN1C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CC1
InChIInChI=1S/C19H25N3O3S/c1-21(13-7-8-13)19(25)16-10-26-11-22(16)18(24)14-9-12-5-3-2-4-6-15(12)20-17(14)23/h9,13,16H,2-8,10-11H2,1H3,(H,20,23)
InChIKeyNRFKAIUTCPNPFH-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.78
Rot. Bonds3

About N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 136526904) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID136526904
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)C1CSCN1C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CC1
InChIInChI=1S/C19H25N3O3S/c1-21(13-7-8-13)19(25)16-10-26-11-22(16)18(24)14-9-12-5-3-2-4-6-15(12)20-17(14)23/h9,13,16H,2-8,10-11H2,1H3,(H,20,23)
InChIKeyNRFKAIUTCPNPFH-UHFFFAOYSA-N
XLogP1.78
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 136526904) is N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is CN(C(=O)C1CSCN1C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NRFKAIUTCPNPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-21(13-7-8-13)19(25)16-10-26-11-22(16)18(24)14-9-12-5-3-2-4-6-15(12)20-17(14)23/h9,13,16H,2-8,10-11H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 136526904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).