2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide

C18H17N5O2S — CID 67160270

IUPAC2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)cc1
InChIInChI=1S/C18H17N5O2S/c1-25-14-6-4-12(5-7-14)22-16(24)15-3-2-9-20-17(15)26-11-13-8-10-21-18(19)23-13/h2-10H,11H2,1H3,(H,22,24)(H2,19,21,23)
InChIKeyYXKXXNFAUVZAHH-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.01
Rot. Bonds6

About 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide

2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 67160270) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID67160270
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)cc1
InChIInChI=1S/C18H17N5O2S/c1-25-14-6-4-12(5-7-14)22-16(24)15-3-2-9-20-17(15)26-11-13-8-10-21-18(19)23-13/h2-10H,11H2,1H3,(H,22,24)(H2,19,21,23)
InChIKeyYXKXXNFAUVZAHH-UHFFFAOYSA-N
XLogP3.01
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 67160347
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 67160606
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 47044077
N-(3,5-dimethylphenyl)-2-[(2-methylsulfanylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 11964936
2-[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 67159986
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55887538
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 67160270) is 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)cc1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is YXKXXNFAUVZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-25-14-6-4-12(5-7-14)22-16(24)15-3-2-9-20-17(15)26-11-13-8-10-21-18(19)23-13/h2-10H,11H2,1H3,(H,22,24)(H2,19,21,23).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67160270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).