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

C22H23N5O2 — CID 171487947

IUPAC5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
InChIInChI=1S/C22H23N5O2/c1-3-15-9-19-20(26-21(15)28)8-14(10-24-19)12-27-7-6-17(13-27)16-4-5-18(25-11-16)22(29)23-2/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,23,29)(H,26,28)
InChIKeyVNGGQDLDKPJZSM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.14
Rot. Bonds5

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

5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171487947) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID171487947
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
InChIInChI=1S/C22H23N5O2/c1-3-15-9-19-20(26-21(15)28)8-14(10-24-19)12-27-7-6-17(13-27)16-4-5-18(25-11-16)22(29)23-2/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,23,29)(H,26,28)
InChIKeyVNGGQDLDKPJZSM-UHFFFAOYSA-N
XLogP2.14
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide (CID 171487947) is 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O.
What is the InChIKey of 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is VNGGQDLDKPJZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-15-9-19-20(26-21(15)28)8-14(10-24-19)12-27-7-6-17(13-27)16-4-5-18(25-11-16)22(29)23-2/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,23,29)(H,26,28).
What are the key properties of 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide?
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171487947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).