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

C23H24N8O3 — CID 118036712

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-c4ccnn4C)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C23H24N8O3/c1-30-20(5-6-27-30)17-10-15-4-3-8-31(22(15)28-19(17)14-32)23(33)29-21-11-18(25-7-9-34-2)16(12-24)13-26-21/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H2,25,26,29,33)
InChIKeyXJRREISSIXYRMU-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.60
Rot. Bonds7

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036712) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036712
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-c4ccnn4C)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C23H24N8O3/c1-30-20(5-6-27-30)17-10-15-4-3-8-31(22(15)28-19(17)14-32)23(33)29-21-11-18(25-7-9-34-2)16(12-24)13-26-21/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H2,25,26,29,33)
InChIKeyXJRREISSIXYRMU-UHFFFAOYSA-N
XLogP2.60
TPSA138.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.60
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-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036712) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-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-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(-c4ccnn4C)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is XJRREISSIXYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-30-20(5-6-27-30)17-10-15-4-3-8-31(22(15)28-19(17)14-32)23(33)29-21-11-18(25-7-9-34-2)16(12-24)13-26-21/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H2,25,26,29,33).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 2.60, 7 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-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).