N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H26N6O6 — CID 137497230

IUPACN-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4C=CC=COC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C26H26N6O6/c1-17(16-36-2)38-22-11-23(28-13-20(22)12-27)30-25(34)32-8-5-6-18-10-19(21(15-33)29-24(18)32)14-31-7-3-4-9-37-26(31)35/h3-4,7,9-11,13,15,17H,5-6,8,14,16H2,1-2H3,(H,28,30,34)/t17-/m1/s1
InChIKeyKBILRWYMGBVZKQ-QGZVFWFLSA-N
MW518.53 g/mol
LogP3.54
Rot. Bonds8

About N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 137497230) has the molecular formula C26H26N6O6 and a molecular weight of 518.53 g/mol. Its IUPAC name is N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID137497230
Molecular FormulaC26H26N6O6
Molecular Weight518.53 g/mol
Exact Mass518.19
IUPAC NameN-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4C=CC=COC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C26H26N6O6/c1-17(16-36-2)38-22-11-23(28-13-20(22)12-27)30-25(34)32-8-5-6-18-10-19(21(15-33)29-24(18)32)14-31-7-3-4-9-37-26(31)35/h3-4,7,9-11,13,15,17H,5-6,8,14,16H2,1-2H3,(H,28,30,34)/t17-/m1/s1
InChIKeyKBILRWYMGBVZKQ-QGZVFWFLSA-N
XLogP3.54
TPSA146.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 137497230) is N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4C=CC=COC4=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KBILRWYMGBVZKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26N6O6/c1-17(16-36-2)38-22-11-23(28-13-20(22)12-27)30-25(34)32-8-5-6-18-10-19(21(15-33)29-24(18)32)14-31-7-3-4-9-37-26(31)35/h3-4,7,9-11,13,15,17H,5-6,8,14,16H2,1-2H3,(H,28,30,34)/t17-/m1/s1.
What are the key properties of N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 518.53 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 137497230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).