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

C23H23N7O3S — CID 118036277

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-c4cnc(C)s4)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C23H23N7O3S/c1-14-26-12-20(34-14)17-8-15-4-3-6-30(22(15)28-19(17)13-31)23(32)29-21-9-18(25-5-7-33-2)16(10-24)11-27-21/h8-9,11-13H,3-7H2,1-2H3,(H2,25,27,29,32)
InChIKeyRXONHZJFUFKCMG-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.64
Rot. Bonds7

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036277) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-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-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036277
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-c4cnc(C)s4)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C23H23N7O3S/c1-14-26-12-20(34-14)17-8-15-4-3-6-30(22(15)28-19(17)13-31)23(32)29-21-9-18(25-5-7-33-2)16(10-24)11-27-21/h8-9,11-13H,3-7H2,1-2H3,(H2,25,27,29,32)
InChIKeyRXONHZJFUFKCMG-UHFFFAOYSA-N
XLogP3.64
TPSA133.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.64
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-methyl-1,3-thiazol-5-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-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036277) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-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-methyl-1,3-thiazol-5-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-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(-c4cnc(C)s4)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is RXONHZJFUFKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S/c1-14-26-12-20(34-14)17-8-15-4-3-6-30(22(15)28-19(17)13-31)23(32)29-21-9-18(25-5-7-33-2)16(10-24)11-27-21/h8-9,11-13H,3-7H2,1-2H3,(H2,25,27,29,32).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 3.64, 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-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).