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

C21H19N5O3 — CID 118036923

IUPACN-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1=CCOCC1
InChIInChI=1S/C21H19N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-5,10,12-13H,1-2,6-9H2,(H,23,25,28)
InChIKeyFJUAVUVONQANAW-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.95
Rot. Bonds3

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

N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036923) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036923
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1=CCOCC1
InChIInChI=1S/C21H19N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-5,10,12-13H,1-2,6-9H2,(H,23,25,28)
InChIKeyFJUAVUVONQANAW-UHFFFAOYSA-N
XLogP2.95
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036923) is N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1=CCOCC1.
What is the InChIKey of N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is FJUAVUVONQANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-5,10,12-13H,1-2,6-9H2,(H,23,25,28).
What are the key properties of N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).