6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C19H21N7O2 — CID 90153800

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccnc1OC
InChIInChI=1S/C19H21N7O2/c1-11-8-17(24-12(2)23-11)26-16-9-15(13(10-22-16)18(27)20-3)25-14-6-5-7-21-19(14)28-4/h5-10H,1-4H3,(H,20,27)(H2,22,23,24,25,26)
InChIKeyJPUWDVIRDGBDOT-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.74
Rot. Bonds6

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 90153800) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID90153800
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccnc1OC
InChIInChI=1S/C19H21N7O2/c1-11-8-17(24-12(2)23-11)26-16-9-15(13(10-22-16)18(27)20-3)25-14-6-5-7-21-19(14)28-4/h5-10H,1-4H3,(H,20,27)(H2,22,23,24,25,26)
InChIKeyJPUWDVIRDGBDOT-UHFFFAOYSA-N
XLogP2.74
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 90153800) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccnc1OC.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is JPUWDVIRDGBDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11-8-17(24-12(2)23-11)26-16-9-15(13(10-22-16)18(27)20-3)25-14-6-5-7-21-19(14)28-4/h5-10H,1-4H3,(H,20,27)(H2,22,23,24,25,26).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90153800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).