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

C24H20F2N6O2 — CID 118293473

IUPACN-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccnc(Nc3ccnc(C)n3)c2)cc1C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C24H20F2N6O2/c1-14-27-9-7-21(30-14)31-22-11-15(6-8-28-22)16-10-18(23(34-3)29-13-16)24(33)32(2)20-5-4-17(25)12-19(20)26/h4-13H,1-3H3,(H,27,28,30,31)
InChIKeyQBUUMHKGDAXWPQ-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.55
Rot. Bonds6

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

N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 118293473) has the molecular formula C24H20F2N6O2 and a molecular weight of 462.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
PubChem CID118293473
Molecular FormulaC24H20F2N6O2
Molecular Weight462.46 g/mol
Exact Mass462.16
IUPAC NameN-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccnc(Nc3ccnc(C)n3)c2)cc1C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C24H20F2N6O2/c1-14-27-9-7-21(30-14)31-22-11-15(6-8-28-22)16-10-18(23(34-3)29-13-16)24(33)32(2)20-5-4-17(25)12-19(20)26/h4-13H,1-3H3,(H,27,28,30,31)
InChIKeyQBUUMHKGDAXWPQ-UHFFFAOYSA-N
XLogP4.55
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide (CID 118293473) is N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide is COc1ncc(-c2ccnc(Nc3ccnc(C)n3)c2)cc1C(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is QBUUMHKGDAXWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O2/c1-14-27-9-7-21(30-14)31-22-11-15(6-8-28-22)16-10-18(23(34-3)29-13-16)24(33)32(2)20-5-4-17(25)12-19(20)26/h4-13H,1-3H3,(H,27,28,30,31).
What are the key properties of N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118293473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).