N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide

C24H20F2N6O — CID 118249111

IUPACN-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N(C)c4ccc(F)cc4F)c3)ccn2)n1
InChIInChI=1S/C24H20F2N6O/c1-14-19(24(33)32(3)21-5-4-18(25)12-20(21)26)10-17(13-29-14)16-6-8-28-23(11-16)31-22-7-9-27-15(2)30-22/h4-13H,1-3H3,(H,27,28,30,31)
InChIKeyMMKFSHOAIODVBB-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.85
Rot. Bonds5

About N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide

N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 118249111) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
PubChem CID118249111
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC NameN-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N(C)c4ccc(F)cc4F)c3)ccn2)n1
InChIInChI=1S/C24H20F2N6O/c1-14-19(24(33)32(3)21-5-4-18(25)12-20(21)26)10-17(13-29-14)16-6-8-28-23(11-16)31-22-7-9-27-15(2)30-22/h4-13H,1-3H3,(H,27,28,30,31)
InChIKeyMMKFSHOAIODVBB-UHFFFAOYSA-N
XLogP4.85
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide (CID 118249111) is N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide is Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N(C)c4ccc(F)cc4F)c3)ccn2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is MMKFSHOAIODVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-14-19(24(33)32(3)21-5-4-18(25)12-20(21)26)10-17(13-29-14)16-6-8-28-23(11-16)31-22-7-9-27-15(2)30-22/h4-13H,1-3H3,(H,27,28,30,31).
What are the key properties of N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N,2-dimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).