N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide

C19H18N4O2S — CID 30703297

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cn1
InChIInChI=1S/C19H18N4O2S/c1-12-10-13(2)22-19(21-12)26-16-7-5-15(6-8-16)23-18(24)14-4-9-17(25-3)20-11-14/h4-11H,1-3H3,(H,23,24)
InChIKeyVDQPYKJFAGJOHZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.90
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide (PubChem CID 30703297) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
PubChem CID30703297
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cn1
InChIInChI=1S/C19H18N4O2S/c1-12-10-13(2)22-19(21-12)26-16-7-5-15(6-8-16)23-18(24)14-4-9-17(25-3)20-11-14/h4-11H,1-3H3,(H,23,24)
InChIKeyVDQPYKJFAGJOHZ-UHFFFAOYSA-N
XLogP3.90
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112811666
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
CID 26121927
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methoxymethyl)benzamide
CID 30900594
4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 4548878
6-methoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
CID 122287660
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide (CID 30703297) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cn1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is VDQPYKJFAGJOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-10-13(2)22-19(21-12)26-16-7-5-15(6-8-16)23-18(24)14-4-9-17(25-3)20-11-14/h4-11H,1-3H3,(H,23,24).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 30703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).