1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid

C31H26N4O6 — CID 122512383

IUPAC1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid
SMILESO=C(NC1CC1)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.O=C(O)O
InChIInChI=1S/C30H24N4O3.CH2O3/c35-28-24-16-23(20-10-5-2-6-11-20)30(37)34(18-19-8-3-1-4-9-19)27(24)25(21-12-7-15-31-17-21)33-26(28)29(36)32-22-13-14-22;2-1(3)4/h1-12,15-17,22,35H,13-14,18H2,(H,32,36);(H2,2,3,4)
InChIKeyDKCKKBSJEBEYDP-UHFFFAOYSA-N
MW550.57 g/mol
LogP4.99
Rot. Bonds6

About 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid

1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid (PubChem CID 122512383) has the molecular formula C31H26N4O6 and a molecular weight of 550.57 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid
PubChem CID122512383
Molecular FormulaC31H26N4O6
Molecular Weight550.57 g/mol
Exact Mass550.19
IUPAC Name1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid
SMILESO=C(NC1CC1)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.O=C(O)O
InChIInChI=1S/C30H24N4O3.CH2O3/c35-28-24-16-23(20-10-5-2-6-11-20)30(37)34(18-19-8-3-1-4-9-19)27(24)25(21-12-7-15-31-17-21)33-26(28)29(36)32-22-13-14-22;2-1(3)4/h1-12,15-17,22,35H,13-14,18H2,(H,32,36);(H2,2,3,4)
InChIKeyDKCKKBSJEBEYDP-UHFFFAOYSA-N
XLogP4.99
TPSA154.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid?
The IUPAC name of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid (CID 122512383) is 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid?
The canonical SMILES for 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid is O=C(NC1CC1)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.O=C(O)O.
What is the InChIKey of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid?
The InChIKey is DKCKKBSJEBEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3.CH2O3/c35-28-24-16-23(20-10-5-2-6-11-20)30(37)34(18-19-8-3-1-4-9-19)27(24)25(21-12-7-15-31-17-21)33-26(28)29(36)32-22-13-14-22;2-1(3)4/h1-12,15-17,22,35H,13-14,18H2,(H,32,36);(H2,2,3,4).
What are the key properties of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid?
1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid has a molecular weight of 550.57 g/mol, XLogP of 4.99, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid is sourced from PubChem (CID 122512383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).