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

C24H29N7O5 — CID 118036364

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H29N7O5/c1-30(22(33)15-36-3)13-17-9-16-5-4-7-31(23(16)28-20(17)14-32)24(34)29-21-10-19(26-6-8-35-2)18(11-25)12-27-21/h9-10,12,14H,4-8,13,15H2,1-3H3,(H2,26,27,29,34)
InChIKeyFXBQEWDXXHAXIW-UHFFFAOYSA-N
MW495.54 g/mol
LogP1.81
Rot. Bonds10

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036364) has the molecular formula C24H29N7O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036364
Molecular FormulaC24H29N7O5
Molecular Weight495.54 g/mol
Exact Mass495.22
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H29N7O5/c1-30(22(33)15-36-3)13-17-9-16-5-4-7-31(23(16)28-20(17)14-32)24(34)29-21-10-19(26-6-8-35-2)18(11-25)12-27-21/h9-10,12,14H,4-8,13,15H2,1-3H3,(H2,26,27,29,34)
InChIKeyFXBQEWDXXHAXIW-UHFFFAOYSA-N
XLogP1.81
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 51.81
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-methoxyacetyl)-methylamino]methyl]-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-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036364) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-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-methoxyacetyl)-methylamino]methyl]-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-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is FXBQEWDXXHAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O5/c1-30(22(33)15-36-3)13-17-9-16-5-4-7-31(23(16)28-20(17)14-32)24(34)29-21-10-19(26-6-8-35-2)18(11-25)12-27-21/h9-10,12,14H,4-8,13,15H2,1-3H3,(H2,26,27,29,34).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 1.81, 10 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-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).