5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide

C17H15ClN4OS — CID 45210235

IUPAC5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccncc2)ncc1C(C)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClN4OS/c1-10-13(9-20-16(21-10)12-5-7-19-8-6-12)11(2)22-17(23)14-3-4-15(18)24-14/h3-9,11H,1-2H3,(H,22,23)
InChIKeyJWTKTRGAGNQBKY-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.05
Rot. Bonds4

About 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 45210235) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID45210235
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccncc2)ncc1C(C)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClN4OS/c1-10-13(9-20-16(21-10)12-5-7-19-8-6-12)11(2)22-17(23)14-3-4-15(18)24-14/h3-9,11H,1-2H3,(H,22,23)
InChIKeyJWTKTRGAGNQBKY-UHFFFAOYSA-N
XLogP4.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1S)-2-Amino-1-(2,4-dichlorobenzyl)ethyl)-5-(2-(methylamino)pyrimidin-4-YL)thiophene-2-carboxamide
CID 16043304
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
PfGSK3/PfPK6-IN-2
CID 165437253
N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
N-(2,4-dichlorophenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11502369
N-(2,4-dichlorophenethyl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 11567357
N-((R)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414422
N-((S)-1-(2,4-dichlorophenyl)-3-(dimethylamino)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414447
N-((S)-4-amino-1-(2,4-dichlorophenyl)butan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414470
N-((R)-1-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414530
N-(1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414579
2-chloro-N-[4-(2-thienyl)-2-pyrimidinyl]benzenecarboxamide
CID 3421246

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide (CID 45210235) is 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide is Cc1nc(-c2ccncc2)ncc1C(C)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JWTKTRGAGNQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-10-13(9-20-16(21-10)12-5-7-19-8-6-12)11(2)22-17(23)14-3-4-15(18)24-14/h3-9,11H,1-2H3,(H,22,23).
What are the key properties of 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45210235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).