N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide

C21H23F2N5O3 — CID 144864576

IUPACN-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCC1=C(c2cc(C(=O)Nc3c(F)cccc3F)nn2C)CNC(OCC(=O)N(C)C)=C1
InChIInChI=1S/C21H23F2N5O3/c1-12-8-18(31-11-19(29)27(2)3)24-10-13(12)17-9-16(26-28(17)4)21(30)25-20-14(22)6-5-7-15(20)23/h5-9,24H,10-11H2,1-4H3,(H,25,30)
InChIKeyMNHFIWZJQMPYDB-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.27
Rot. Bonds6

About N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide

N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 144864576) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID144864576
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC NameN-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCC1=C(c2cc(C(=O)Nc3c(F)cccc3F)nn2C)CNC(OCC(=O)N(C)C)=C1
InChIInChI=1S/C21H23F2N5O3/c1-12-8-18(31-11-19(29)27(2)3)24-10-13(12)17-9-16(26-28(17)4)21(30)25-20-14(22)6-5-7-15(20)23/h5-9,24H,10-11H2,1-4H3,(H,25,30)
InChIKeyMNHFIWZJQMPYDB-UHFFFAOYSA-N
XLogP2.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
CID 136992611
5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 118174017
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 91810757
5-(4-chloro-6-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;N-(2,6-difluorophenyl)-5-[4-(dimethylamino)-6-methoxy-3-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 159964397
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
CID 118609412
N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
CID 118614858
N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118617243
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide (CID 144864576) is N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide is CC1=C(c2cc(C(=O)Nc3c(F)cccc3F)nn2C)CNC(OCC(=O)N(C)C)=C1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MNHFIWZJQMPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-12-8-18(31-11-19(29)27(2)3)24-10-13(12)17-9-16(26-28(17)4)21(30)25-20-14(22)6-5-7-15(20)23/h5-9,24H,10-11H2,1-4H3,(H,25,30).
What are the key properties of N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 144864576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).