N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C19H17N5O3 — CID 118036925

IUPACN-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCc3cc(C=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C19H17N5O3/c1-2-12-7-17(21-9-15(12)8-20)23-19(27)24-5-3-4-13-6-14(10-25)16(11-26)22-18(13)24/h6-7,9-11H,2-5H2,1H3,(H,21,23,27)
InChIKeyZHZKHQKLRWGHRB-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.52
Rot. Bonds4

About N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036925) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036925
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCc3cc(C=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C19H17N5O3/c1-2-12-7-17(21-9-15(12)8-20)23-19(27)24-5-3-4-13-6-14(10-25)16(11-26)22-18(13)24/h6-7,9-11H,2-5H2,1H3,(H,21,23,27)
InChIKeyZHZKHQKLRWGHRB-UHFFFAOYSA-N
XLogP2.52
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036925) is N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCc1cc(NC(=O)N2CCCc3cc(C=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ZHZKHQKLRWGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-12-7-17(21-9-15(12)8-20)23-19(27)24-5-3-4-13-6-14(10-25)16(11-26)22-18(13)24/h6-7,9-11H,2-5H2,1H3,(H,21,23,27).
What are the key properties of N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-ethyl-2-pyridinyl)-6,7-diformyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).