7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C23H28N6O3 — CID 144833596

IUPAC7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC/C=C/c1nc2c(cc1CO)CCCN2C(=O)Nc1cc(NCCOC)c(C#N)cn1
InChIInChI=1S/C23H28N6O3/c1-3-4-7-19-17(15-30)11-16-6-5-9-29(22(16)27-19)23(31)28-21-12-20(25-8-10-32-2)18(13-24)14-26-21/h4,7,11-12,14,30H,3,5-6,8-10,15H2,1-2H3,(H2,25,26,28,31)/b7-4+
InChIKeyPAEFHJBRMUEAPO-QPJJXVBHSA-N
MW436.52 g/mol
LogP3.31
Rot. Bonds8

About 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 144833596) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID144833596
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC/C=C/c1nc2c(cc1CO)CCCN2C(=O)Nc1cc(NCCOC)c(C#N)cn1
InChIInChI=1S/C23H28N6O3/c1-3-4-7-19-17(15-30)11-16-6-5-9-29(22(16)27-19)23(31)28-21-12-20(25-8-10-32-2)18(13-24)14-26-21/h4,7,11-12,14,30H,3,5-6,8-10,15H2,1-2H3,(H2,25,26,28,31)/b7-4+
InChIKeyPAEFHJBRMUEAPO-QPJJXVBHSA-N
XLogP3.31
TPSA123.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 144833596) is 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC/C=C/c1nc2c(cc1CO)CCCN2C(=O)Nc1cc(NCCOC)c(C#N)cn1.
What is the InChIKey of 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is PAEFHJBRMUEAPO-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-3-4-7-19-17(15-30)11-16-6-5-9-29(22(16)27-19)23(31)28-21-12-20(25-8-10-32-2)18(13-24)14-26-21/h4,7,11-12,14,30H,3,5-6,8-10,15H2,1-2H3,(H2,25,26,28,31)/b7-4+.
What are the key properties of 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 144833596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).