N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide

C25H22FN7O3 — CID 163238560

IUPACN-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(C#N)cn4)cn3)c(F)c2)no1
InChIInChI=1S/C25H22FN7O3/c1-15-30-24(32-36-15)16-4-6-19(20(26)10-16)21-7-5-17(13-28-21)25(34)31-23-11-22(18(12-27)14-29-23)35-9-8-33(2)3/h4-7,10-11,13-14H,8-9H2,1-3H3,(H,29,31,34)
InChIKeySASAFFCTHHUDNM-UHFFFAOYSA-N
MW487.50 g/mol
LogP3.71
Rot. Bonds8

About N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide

N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 163238560) has the molecular formula C25H22FN7O3 and a molecular weight of 487.50 g/mol. Its IUPAC name is N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID163238560
Molecular FormulaC25H22FN7O3
Molecular Weight487.50 g/mol
Exact Mass487.18
IUPAC NameN-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(C#N)cn4)cn3)c(F)c2)no1
InChIInChI=1S/C25H22FN7O3/c1-15-30-24(32-36-15)16-4-6-19(20(26)10-16)21-7-5-17(13-28-21)25(34)31-23-11-22(18(12-27)14-29-23)35-9-8-33(2)3/h4-7,10-11,13-14H,8-9H2,1-3H3,(H,29,31,34)
InChIKeySASAFFCTHHUDNM-UHFFFAOYSA-N
XLogP3.71
TPSA130.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 169094903
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 169094893
N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 169094899
2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 67662710
N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 67663699
[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid
CID 118038729
[5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
CID 23204414
N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
6-amino-4-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 118037497
4-[2-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
CID 169094894
3-[4-[2-(dimethylamino)ethoxy]-3-nitrophenyl]-1,2,4-oxadiazol-5-amine
CID 82358622

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide (CID 163238560) is N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide is Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(C#N)cn4)cn3)c(F)c2)no1.
What is the InChIKey of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is SASAFFCTHHUDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O3/c1-15-30-24(32-36-15)16-4-6-19(20(26)10-16)21-7-5-17(13-28-21)25(34)31-23-11-22(18(12-27)14-29-23)35-9-8-33(2)3/h4-7,10-11,13-14H,8-9H2,1-3H3,(H,29,31,34).
What are the key properties of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 163238560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).