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

C24H29N7O4 — CID 118036773

IUPAC6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(C)=O
InChIInChI=1S/C24H29N7O4/c1-4-30(16(2)33)14-18-10-17-6-5-8-31(23(17)28-21(18)15-32)24(34)29-22-11-20(26-7-9-35-3)19(12-25)13-27-22/h10-11,13,15H,4-9,14H2,1-3H3,(H2,26,27,29,34)
InChIKeyLYVKHZZBBRVBSG-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.57
Rot. Bonds9

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

6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036773) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036773
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(C)=O
InChIInChI=1S/C24H29N7O4/c1-4-30(16(2)33)14-18-10-17-6-5-8-31(23(17)28-21(18)15-32)24(34)29-22-11-20(26-7-9-35-3)19(12-25)13-27-22/h10-11,13,15H,4-9,14H2,1-3H3,(H2,26,27,29,34)
InChIKeyLYVKHZZBBRVBSG-UHFFFAOYSA-N
XLogP2.57
TPSA140.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036773) is 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(C)=O.
What is the InChIKey of 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LYVKHZZBBRVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-4-30(16(2)33)14-18-10-17-6-5-8-31(23(17)28-21(18)15-32)24(34)29-22-11-20(26-7-9-35-3)19(12-25)13-27-22/h10-11,13,15H,4-9,14H2,1-3H3,(H2,26,27,29,34).
What are the key properties of 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[acetyl(ethyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).