6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide

C21H21FN6O3 — CID 156880977

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C21H21FN6O3/c1-11-7-19(26-12(2)25-11)28-18-9-16(15(10-24-18)20(29)23-3)27-21(30)14-8-13(22)5-6-17(14)31-4/h5-10H,1-4H3,(H,23,29)(H2,24,25,26,27,28,30)
InChIKeyUJDNCUWEMHAVMC-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.99
Rot. Bonds6

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 156880977) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID156880977
Molecular FormulaC21H21FN6O3
Molecular Weight424.44 g/mol
Exact Mass424.17
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C21H21FN6O3/c1-11-7-19(26-12(2)25-11)28-18-9-16(15(10-24-18)20(29)23-3)27-21(30)14-8-13(22)5-6-17(14)31-4/h5-10H,1-4H3,(H,23,29)(H2,24,25,26,27,28,30)
InChIKeyUJDNCUWEMHAVMC-UHFFFAOYSA-N
XLogP2.99
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

4-[(2-fluoro-6-methoxybenzoyl)amino]-6-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 156880816
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 156880829
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 156880875
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 175861594
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide
CID 156880932
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[ethylsulfonyl(methyl)amino]-4-fluoroanilino]pyridine-3-carboxamide
CID 163387356
4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide
CID 156880966
4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 90153827
4-chloro-N-(4-fluoro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81227053

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide (CID 156880977) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is UJDNCUWEMHAVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-11-7-19(26-12(2)25-11)28-18-9-16(15(10-24-18)20(29)23-3)27-21(30)14-8-13(22)5-6-17(14)31-4/h5-10H,1-4H3,(H,23,29)(H2,24,25,26,27,28,30).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 156880977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).