N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H27N7O5 — CID 118036840

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H27N7O5/c1-35-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-36-15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34)
InChIKeyZTYSXMGILYNNJX-UHFFFAOYSA-N
MW493.52 g/mol
LogP1.56
Rot. Bonds8

About N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036840) has the molecular formula C24H27N7O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036840
Molecular FormulaC24H27N7O5
Molecular Weight493.52 g/mol
Exact Mass493.21
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H27N7O5/c1-35-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-36-15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34)
InChIKeyZTYSXMGILYNNJX-UHFFFAOYSA-N
XLogP1.56
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036840) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ZTYSXMGILYNNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O5/c1-35-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-36-15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).