1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one

C21H23N5O — CID 170968343

IUPAC1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one
SMILESC=Cn1/c(=N\C)c(-c2cnc(C(=O)CCC)cc2C)cc2cnc(N)cc21
InChIInChI=1S/C21H23N5O/c1-5-7-19(27)17-8-13(3)16(12-24-17)15-9-14-11-25-20(22)10-18(14)26(6-2)21(15)23-4/h6,8-12H,2,5,7H2,1,3-4H3,(H2,22,25)/b23-21-
InChIKeyLKRSCTSUEYCQLX-LNVKXUELSA-N
MW361.45 g/mol
LogP3.60
Rot. Bonds5

About 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one

1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one (PubChem CID 170968343) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one.

Molecular Properties

Compound Name1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one
PubChem CID170968343
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one
SMILESC=Cn1/c(=N\C)c(-c2cnc(C(=O)CCC)cc2C)cc2cnc(N)cc21
InChIInChI=1S/C21H23N5O/c1-5-7-19(27)17-8-13(3)16(12-24-17)15-9-14-11-25-20(22)10-18(14)26(6-2)21(15)23-4/h6,8-12H,2,5,7H2,1,3-4H3,(H2,22,25)/b23-21-
InChIKeyLKRSCTSUEYCQLX-LNVKXUELSA-N
XLogP3.60
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one?
The IUPAC name of 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one (CID 170968343) is 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one.
What is the SMILES notation for 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one?
The canonical SMILES for 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one is C=Cn1/c(=N\C)c(-c2cnc(C(=O)CCC)cc2C)cc2cnc(N)cc21.
What is the InChIKey of 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one?
The InChIKey is LKRSCTSUEYCQLX-LNVKXUELSA-N. The full InChI is InChI=1S/C21H23N5O/c1-5-7-19(27)17-8-13(3)16(12-24-17)15-9-14-11-25-20(22)10-18(14)26(6-2)21(15)23-4/h6,8-12H,2,5,7H2,1,3-4H3,(H2,22,25)/b23-21-.
What are the key properties of 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one?
1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one has a molecular weight of 361.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one is sourced from PubChem (CID 170968343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).