5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide

C24H27N5O2 — CID 178063358

IUPAC5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC/C(=C\c4ccc(C(=O)NC)nc4)C3C)cc2[nH]c1=O
InChIInChI=1S/C24H27N5O2/c1-4-18-11-21-22(28-23(18)30)10-17(13-27-21)14-29-8-7-19(15(29)2)9-16-5-6-20(26-12-16)24(31)25-3/h5-6,9-13,15H,4,7-8,14H2,1-3H3,(H,25,31)(H,28,30)/b19-9+
InChIKeyZFLNSDDJLZXZAU-DJKKODMXSA-N
MW417.51 g/mol
LogP2.92
Rot. Bonds5

About 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide

5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 178063358) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
PubChem CID178063358
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC/C(=C\c4ccc(C(=O)NC)nc4)C3C)cc2[nH]c1=O
InChIInChI=1S/C24H27N5O2/c1-4-18-11-21-22(28-23(18)30)10-17(13-27-21)14-29-8-7-19(15(29)2)9-16-5-6-20(26-12-16)24(31)25-3/h5-6,9-13,15H,4,7-8,14H2,1-3H3,(H,25,31)(H,28,30)/b19-9+
InChIKeyZFLNSDDJLZXZAU-DJKKODMXSA-N
XLogP2.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
CID 178063369
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056342
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 171487955
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
CID 177254531
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-N-methylpyridine-2-carboxamide
CID 175824639
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide
CID 171444980
5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171445025
4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide
CID 166082585

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide (CID 178063358) is 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC/C(=C\c4ccc(C(=O)NC)nc4)C3C)cc2[nH]c1=O.
What is the InChIKey of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZFLNSDDJLZXZAU-DJKKODMXSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-4-18-11-21-22(28-23(18)30)10-17(13-27-21)14-29-8-7-19(15(29)2)9-16-5-6-20(26-12-16)24(31)25-3/h5-6,9-13,15H,4,7-8,14H2,1-3H3,(H,25,31)(H,28,30)/b19-9+.
What are the key properties of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?
5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 178063358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).