N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide

C19H20N4OS — CID 45229538

IUPACN-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1nc(-c2ccncc2)ncc1C(C)NC(=O)CCc1cccs1
InChIInChI=1S/C19H20N4OS/c1-13(22-18(24)6-5-16-4-3-11-25-16)17-12-21-19(23-14(17)2)15-7-9-20-10-8-15/h3-4,7-13H,5-6H2,1-2H3,(H,22,24)
InChIKeyCKUKEHKIWUWPSG-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 45229538) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID45229538
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1nc(-c2ccncc2)ncc1C(C)NC(=O)CCc1cccs1
InChIInChI=1S/C19H20N4OS/c1-13(22-18(24)6-5-16-4-3-11-25-16)17-12-21-19(23-14(17)2)15-7-9-20-10-8-15/h3-4,7-13H,5-6H2,1-2H3,(H,22,24)
InChIKeyCKUKEHKIWUWPSG-UHFFFAOYSA-N
XLogP3.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
CID 42195430
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 26398298
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 97123551
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
CID 97117814
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45182393
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 97144929
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146516
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146517
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
CID 72933838
2-methyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 72895080

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 45229538) is N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide is Cc1nc(-c2ccncc2)ncc1C(C)NC(=O)CCc1cccs1.
What is the InChIKey of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is CKUKEHKIWUWPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13(22-18(24)6-5-16-4-3-11-25-16)17-12-21-19(23-14(17)2)15-7-9-20-10-8-15/h3-4,7-13H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 45229538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).