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

C16H13N5O2 — CID 118036931

IUPACN-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1
InChIInChI=1S/C16H13N5O2/c17-8-11-3-6-14(18-9-11)20-16(23)21-7-1-2-12-4-5-13(10-22)19-15(12)21/h3-6,9-10H,1-2,7H2,(H,18,20,23)
InChIKeyDNJLKERWZGKXBF-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.15
Rot. Bonds2

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

N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036931) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036931
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1
InChIInChI=1S/C16H13N5O2/c17-8-11-3-6-14(18-9-11)20-16(23)21-7-1-2-12-4-5-13(10-22)19-15(12)21/h3-6,9-10H,1-2,7H2,(H,18,20,23)
InChIKeyDNJLKERWZGKXBF-UHFFFAOYSA-N
XLogP2.15
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036931) is N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is DNJLKERWZGKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-8-11-3-6-14(18-9-11)20-16(23)21-7-1-2-12-4-5-13(10-22)19-15(12)21/h3-6,9-10H,1-2,7H2,(H,18,20,23).
What are the key properties of N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).