1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile

C16H18N4O — CID 12818631

IUPAC1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile
SMILESCCn1c(=O)c(C#N)c(N2CCCC2)c2ccc(C)nc21
InChIInChI=1S/C16H18N4O/c1-3-20-15-12(7-6-11(2)18-15)14(13(10-17)16(20)21)19-8-4-5-9-19/h6-7H,3-5,8-9H2,1-2H3
InChIKeyXDHCBXCABCBGRZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.20
Rot. Bonds2

About 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile

1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile (PubChem CID 12818631) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile
PubChem CID12818631
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile
SMILESCCn1c(=O)c(C#N)c(N2CCCC2)c2ccc(C)nc21
InChIInChI=1S/C16H18N4O/c1-3-20-15-12(7-6-11(2)18-15)14(13(10-17)16(20)21)19-8-4-5-9-19/h6-7H,3-5,8-9H2,1-2H3
InChIKeyXDHCBXCABCBGRZ-UHFFFAOYSA-N
XLogP2.20
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile (CID 12818631) is 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile is CCn1c(=O)c(C#N)c(N2CCCC2)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile?
The InChIKey is XDHCBXCABCBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-20-15-12(7-6-11(2)18-15)14(13(10-17)16(20)21)19-8-4-5-9-19/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile?
1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 12818631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).