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

C20H21N5O5 — CID 118036469

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C20H21N5O5/c1-29-5-6-30-17-8-18(22-10-15(17)9-21)24-20(28)25-4-2-3-13-7-14(11-26)16(12-27)23-19(13)25/h7-8,10,12,26H,2-6,11H2,1H3,(H,22,24,28)
InChIKeyRVTLBVODLXUYNU-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.66
Rot. Bonds7

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

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036469) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036469
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C20H21N5O5/c1-29-5-6-30-17-8-18(22-10-15(17)9-21)24-20(28)25-4-2-3-13-7-14(11-26)16(12-27)23-19(13)25/h7-8,10,12,26H,2-6,11H2,1H3,(H,22,24,28)
InChIKeyRVTLBVODLXUYNU-UHFFFAOYSA-N
XLogP1.66
TPSA137.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.66
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-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036469) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is RVTLBVODLXUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-29-5-6-30-17-8-18(22-10-15(17)9-21)24-20(28)25-4-2-3-13-7-14(11-26)16(12-27)23-19(13)25/h7-8,10,12,26H,2-6,11H2,1H3,(H,22,24,28).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 1.66, 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-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).