6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole

C26H22ClN7O — CID 143997536

IUPAC6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
SMILESCn1c(=O)cc(-c2cccc(C#N)n2)c2cc(C(N)c3ccc(Cl)cc3)cnc21.Cn1ccnc1
InChIInChI=1S/C22H16ClN5O.C4H6N2/c1-28-20(29)10-17(19-4-2-3-16(11-24)27-19)18-9-14(12-26-22(18)28)21(25)13-5-7-15(23)8-6-13;1-6-3-2-5-4-6/h2-10,12,21H,25H2,1H3;2-4H,1H3
InChIKeyOYSBFSXDVDLZBZ-UHFFFAOYSA-N
MW483.96 g/mol
LogP3.99
Rot. Bonds3

About 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole

6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole (PubChem CID 143997536) has the molecular formula C26H22ClN7O and a molecular weight of 483.96 g/mol. Its IUPAC name is 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole.

Molecular Properties

Compound Name6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
PubChem CID143997536
Molecular FormulaC26H22ClN7O
Molecular Weight483.96 g/mol
Exact Mass483.16
IUPAC Name6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
SMILESCn1c(=O)cc(-c2cccc(C#N)n2)c2cc(C(N)c3ccc(Cl)cc3)cnc21.Cn1ccnc1
InChIInChI=1S/C22H16ClN5O.C4H6N2/c1-28-20(29)10-17(19-4-2-3-16(11-24)27-19)18-9-14(12-26-22(18)28)21(25)13-5-7-15(23)8-6-13;1-6-3-2-5-4-6/h2-10,12,21H,25H2,1H3;2-4H,1H3
InChIKeyOYSBFSXDVDLZBZ-UHFFFAOYSA-N
XLogP3.99
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997532
4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
CID 143910621
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 143997448
6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334748
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 46205251
6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997364
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 59334656
6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334725
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
CID 143997449
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
3-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]benzonitrile
CID 46203632

Frequently Asked Questions

What is the IUPAC name of 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole?
The IUPAC name of 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole (CID 143997536) is 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole.
What is the SMILES notation for 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole?
The canonical SMILES for 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole is Cn1c(=O)cc(-c2cccc(C#N)n2)c2cc(C(N)c3ccc(Cl)cc3)cnc21.Cn1ccnc1.
What is the InChIKey of 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole?
The InChIKey is OYSBFSXDVDLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O.C4H6N2/c1-28-20(29)10-17(19-4-2-3-16(11-24)27-19)18-9-14(12-26-22(18)28)21(25)13-5-7-15(23)8-6-13;1-6-3-2-5-4-6/h2-10,12,21H,25H2,1H3;2-4H,1H3.
What are the key properties of 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole?
6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole has a molecular weight of 483.96 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole is sourced from PubChem (CID 143997536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).