N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H15N5O3 — CID 118036202

IUPACN-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N
InChIInChI=1S/C17H15N5O3/c1-25-14-7-15(19-9-12(14)8-18)21-17(24)22-6-2-3-11-4-5-13(10-23)20-16(11)22/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24)
InChIKeyALHYZSHKUANXLF-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.15
Rot. Bonds3

About N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036202) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036202
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N
InChIInChI=1S/C17H15N5O3/c1-25-14-7-15(19-9-12(14)8-18)21-17(24)22-6-2-3-11-4-5-13(10-23)20-16(11)22/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24)
InChIKeyALHYZSHKUANXLF-UHFFFAOYSA-N
XLogP2.15
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036202) is N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ALHYZSHKUANXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-25-14-7-15(19-9-12(14)8-18)21-17(24)22-6-2-3-11-4-5-13(10-23)20-16(11)22/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24).
What are the key properties of N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-methoxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).