N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

C25H28N4O3S — CID 112807335

IUPACN-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C25H28N4O3S/c1-18-20(5-7-22(26-18)24-3-2-16-33-24)25(30)27-21-6-4-19(28-8-12-31-13-9-28)17-23(21)29-10-14-32-15-11-29/h2-7,16-17H,8-15H2,1H3,(H,27,30)
InChIKeyBRKLMBIYRBUVQM-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.04
Rot. Bonds5

About N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 112807335) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID112807335
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C25H28N4O3S/c1-18-20(5-7-22(26-18)24-3-2-16-33-24)25(30)27-21-6-4-19(28-8-12-31-13-9-28)17-23(21)29-10-14-32-15-11-29/h2-7,16-17H,8-15H2,1H3,(H,27,30)
InChIKeyBRKLMBIYRBUVQM-UHFFFAOYSA-N
XLogP4.04
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 112807335) is N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is BRKLMBIYRBUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18-20(5-7-22(26-18)24-3-2-16-33-24)25(30)27-21-6-4-19(28-8-12-31-13-9-28)17-23(21)29-10-14-32-15-11-29/h2-7,16-17H,8-15H2,1H3,(H,27,30).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 112807335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).