N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide

C20H18FN3O2 — CID 69069463

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(COc3ccccc3F)ccn2)c1
InChIInChI=1S/C20H18FN3O2/c1-13-9-14(2)23-19(10-13)24-20(25)17-11-15(7-8-22-17)12-26-18-6-4-3-5-16(18)21/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyWDHFXXDTJWPLTP-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.06
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide (PubChem CID 69069463) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide
PubChem CID69069463
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(COc3ccccc3F)ccn2)c1
InChIInChI=1S/C20H18FN3O2/c1-13-9-14(2)23-19(10-13)24-20(25)17-11-15(7-8-22-17)12-26-18-6-4-3-5-16(18)21/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyWDHFXXDTJWPLTP-UHFFFAOYSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vuf8504
CID 10247610
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
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N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide (CID 69069463) is N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(COc3ccccc3F)ccn2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide?
The InChIKey is WDHFXXDTJWPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-9-14(2)23-19(10-13)24-20(25)17-11-15(7-8-22-17)12-26-18-6-4-3-5-16(18)21/h3-11H,12H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 69069463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).