N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide

C14H15ClN4O2S — CID 135479004

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN4O2S/c1-3-10(22-14-17-8(2)6-12(20)19-14)13(21)18-11-5-4-9(15)7-16-11/h4-7,10H,3H2,1-2H3,(H,16,18,21)(H,17,19,20)
InChIKeyOMJRHSWBDCFQGM-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.64
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide

N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (PubChem CID 135479004) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide
PubChem CID135479004
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN4O2S/c1-3-10(22-14-17-8(2)6-12(20)19-14)13(21)18-11-5-4-9(15)7-16-11/h4-7,10H,3H2,1-2H3,(H,16,18,21)(H,17,19,20)
InChIKeyOMJRHSWBDCFQGM-UHFFFAOYSA-N
XLogP2.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (CID 135479004) is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide is CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The InChIKey is OMJRHSWBDCFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-3-10(22-14-17-8(2)6-12(20)19-14)13(21)18-11-5-4-9(15)7-16-11/h4-7,10H,3H2,1-2H3,(H,16,18,21)(H,17,19,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide has a molecular weight of 338.82 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 135479004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).