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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Related Compounds

1-ethyl-7-methyl-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524630
7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 20524649
10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
CID 135412907
1-ethyl-7-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
CID 23349956
1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524642
1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 143649694
2-[(2-methylphenyl)methyl]-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 135995133
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 167961025
3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
CID 12991183
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
CID 10470853
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carbonitrile
CID 156773693

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).