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

C24H28N6O4 — CID 118036257

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(C4CCOCC4)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H28N6O4/c1-33-10-6-26-20-12-22(27-14-18(20)13-25)29-24(32)30-7-2-3-17-11-19(16-4-8-34-9-5-16)21(15-31)28-23(17)30/h11-12,14-16H,2-10H2,1H3,(H2,26,27,29,32)
InChIKeyHNUSCTSBAMRJQX-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.10
Rot. Bonds7

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036257) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036257
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(C4CCOCC4)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H28N6O4/c1-33-10-6-26-20-12-22(27-14-18(20)13-25)29-24(32)30-7-2-3-17-11-19(16-4-8-34-9-5-16)21(15-31)28-23(17)30/h11-12,14-16H,2-10H2,1H3,(H2,26,27,29,32)
InChIKeyHNUSCTSBAMRJQX-UHFFFAOYSA-N
XLogP3.10
TPSA129.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.10
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 N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-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-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036257) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-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-(oxan-4-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-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(C4CCOCC4)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is HNUSCTSBAMRJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-33-10-6-26-20-12-22(27-14-18(20)13-25)29-24(32)30-7-2-3-17-11-19(16-4-8-34-9-5-16)21(15-31)28-23(17)30/h11-12,14-16H,2-10H2,1H3,(H2,26,27,29,32).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(oxan-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).