N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C23H29N5O6 — CID 118036151

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C23H29N5O6/c1-30-8-9-34-18-11-19(25-13-17(18)12-24)26-23(29)28-7-5-6-15-10-16(14-31-2)20(27-21(15)28)22(32-3)33-4/h10-11,13,22H,5-9,14H2,1-4H3,(H,25,26,29)
InChIKeyLVXPBBXKSSRTMY-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.80
Rot. Bonds10

About N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036151) has the molecular formula C23H29N5O6 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036151
Molecular FormulaC23H29N5O6
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C23H29N5O6/c1-30-8-9-34-18-11-19(25-13-17(18)12-24)26-23(29)28-7-5-6-15-10-16(14-31-2)20(27-21(15)28)22(32-3)33-4/h10-11,13,22H,5-9,14H2,1-4H3,(H,25,26,29)
InChIKeyLVXPBBXKSSRTMY-UHFFFAOYSA-N
XLogP2.80
TPSA128.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036151) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LVXPBBXKSSRTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6/c1-30-8-9-34-18-11-19(25-13-17(18)12-24)26-23(29)28-7-5-6-15-10-16(14-31-2)20(27-21(15)28)22(32-3)33-4/h10-11,13,22H,5-9,14H2,1-4H3,(H,25,26,29).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).