4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide

C19H21N7O4S — CID 90153827

IUPAC4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(S(C)(=O)=O)nc(C)n2)cc1Nc1cccnc1OC
InChIInChI=1S/C19H21N7O4S/c1-11-23-16(9-17(24-11)31(4,28)29)26-15-8-14(12(10-22-15)18(27)20-2)25-13-6-5-7-21-19(13)30-3/h5-10H,1-4H3,(H,20,27)(H2,22,23,24,25,26)
InChIKeyVCJCYMLQSZUJFB-UHFFFAOYSA-N
MW443.49 g/mol
LogP1.83
Rot. Bonds7

About 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide

4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 90153827) has the molecular formula C19H21N7O4S and a molecular weight of 443.49 g/mol. Its IUPAC name is 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID90153827
Molecular FormulaC19H21N7O4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC Name4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(S(C)(=O)=O)nc(C)n2)cc1Nc1cccnc1OC
InChIInChI=1S/C19H21N7O4S/c1-11-23-16(9-17(24-11)31(4,28)29)26-15-8-14(12(10-22-15)18(27)20-2)25-13-6-5-7-21-19(13)30-3/h5-10H,1-4H3,(H,20,27)(H2,22,23,24,25,26)
InChIKeyVCJCYMLQSZUJFB-UHFFFAOYSA-N
XLogP1.83
TPSA148.09 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
4-[(2-fluoro-6-methoxybenzoyl)amino]-6-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 156880816
4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153927
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 156880977
4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 170281331
3,3,3-trideuterio-1-[6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 164832218
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 156880829
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid
CID 90153691
4-(1H-indol-7-ylamino)-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473467
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 156880875

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide (CID 90153827) is 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(S(C)(=O)=O)nc(C)n2)cc1Nc1cccnc1OC.
What is the InChIKey of 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is VCJCYMLQSZUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4S/c1-11-23-16(9-17(24-11)31(4,28)29)26-15-8-14(12(10-22-15)18(27)20-2)25-13-6-5-7-21-19(13)30-3/h5-10H,1-4H3,(H,20,27)(H2,22,23,24,25,26).
What are the key properties of 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90153827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).