N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide

C19H18N4O3S — CID 136782669

IUPACN-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)N(Cc2ccccn2)c2ccccc2O)cc(=O)[nH]1
InChIInChI=1S/C19H18N4O3S/c1-27-12-17-21-14(10-18(25)22-17)19(26)23(11-13-6-4-5-9-20-13)15-7-2-3-8-16(15)24/h2-10,24H,11-12H2,1H3,(H,21,22,25)
InChIKeyAWTWRRHXAHFTQD-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.58
Rot. Bonds6

About N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide

N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 136782669) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide
PubChem CID136782669
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)N(Cc2ccccn2)c2ccccc2O)cc(=O)[nH]1
InChIInChI=1S/C19H18N4O3S/c1-27-12-17-21-14(10-18(25)22-17)19(26)23(11-13-6-4-5-9-20-13)15-7-2-3-8-16(15)24/h2-10,24H,11-12H2,1H3,(H,21,22,25)
InChIKeyAWTWRRHXAHFTQD-UHFFFAOYSA-N
XLogP2.58
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylsulfanylmethyl)-6-oxo-N-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136705864
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
N-(2-hydroxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 108732451
4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
2-(methylsulfanylmethyl)-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
CID 136834654
N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 108756043
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
3-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108732529
N-(2-hydroxyphenyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
CID 108755915
2,2,2-trifluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755903
N-(5-hydroxynaphthalen-1-yl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705736

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide (CID 136782669) is N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide is CSCc1nc(C(=O)N(Cc2ccccn2)c2ccccc2O)cc(=O)[nH]1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is AWTWRRHXAHFTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-27-12-17-21-14(10-18(25)22-17)19(26)23(11-13-6-4-5-9-20-13)15-7-2-3-8-16(15)24/h2-10,24H,11-12H2,1H3,(H,21,22,25).
What are the key properties of N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136782669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).