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

C24H32N6O5 — CID 118036182

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C24H32N6O5/c1-29(2)15-17-11-16-7-6-8-30(22(16)28-21(17)23(33-4)34-5)24(31)27-20-12-19(35-10-9-32-3)18(13-25)14-26-20/h11-12,14,23H,6-10,15H2,1-5H3,(H,26,27,31)
InChIKeyBHSWSMZBWXWPNT-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.71
Rot. Bonds10

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

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036182) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036182
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C24H32N6O5/c1-29(2)15-17-11-16-7-6-8-30(22(16)28-21(17)23(33-4)34-5)24(31)27-20-12-19(35-10-9-32-3)18(13-25)14-26-20/h11-12,14,23H,6-10,15H2,1-5H3,(H,26,27,31)
InChIKeyBHSWSMZBWXWPNT-UHFFFAOYSA-N
XLogP2.71
TPSA122.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.71
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-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036182) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C)c(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BHSWSMZBWXWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-29(2)15-17-11-16-7-6-8-30(22(16)28-21(17)23(33-4)34-5)24(31)27-20-12-19(35-10-9-32-3)18(13-25)14-26-20/h11-12,14,23H,6-10,15H2,1-5H3,(H,26,27,31).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 2.71, 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-[(dimethylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).