5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide

C28H27N5O3 — CID 145047362

IUPAC5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCc2cccc(Oc3cncc(C(=O)N(C)CCc4ccccn4)c3)c2)c1
InChIInChI=1S/C28H27N5O3/c1-20-12-22(17-29-15-20)27(34)32-16-21-6-5-8-25(13-21)36-26-14-23(18-30-19-26)28(35)33(2)11-9-24-7-3-4-10-31-24/h3-8,10,12-15,17-19H,9,11,16H2,1-2H3,(H,32,34)
InChIKeyTXEBFQAJZYCOQL-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.22
Rot. Bonds9

About 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide

5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 145047362) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID145047362
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCc2cccc(Oc3cncc(C(=O)N(C)CCc4ccccn4)c3)c2)c1
InChIInChI=1S/C28H27N5O3/c1-20-12-22(17-29-15-20)27(34)32-16-21-6-5-8-25(13-21)36-26-14-23(18-30-19-26)28(35)33(2)11-9-24-7-3-4-10-31-24/h3-8,10,12-15,17-19H,9,11,16H2,1-2H3,(H,32,34)
InChIKeyTXEBFQAJZYCOQL-UHFFFAOYSA-N
XLogP4.22
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 145047361
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 122137867
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109232494
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide (CID 145047362) is 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide is Cc1cncc(C(=O)NCc2cccc(Oc3cncc(C(=O)N(C)CCc4ccccn4)c3)c2)c1.
What is the InChIKey of 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is TXEBFQAJZYCOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-20-12-22(17-29-15-20)27(34)32-16-21-6-5-8-25(13-21)36-26-14-23(18-30-19-26)28(35)33(2)11-9-24-7-3-4-10-31-24/h3-8,10,12-15,17-19H,9,11,16H2,1-2H3,(H,32,34).
What are the key properties of 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 145047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).