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

C17H15N5O2 — CID 118036366

IUPACN-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C17H15N5O2/c1-11-7-13-3-2-6-22(16(13)20-14(11)10-23)17(24)21-15-5-4-12(8-18)9-19-15/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24)
InChIKeyMHOAWYIRASPLAH-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.45
Rot. Bonds2

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

N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036366) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036366
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C17H15N5O2/c1-11-7-13-3-2-6-22(16(13)20-14(11)10-23)17(24)21-15-5-4-12(8-18)9-19-15/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24)
InChIKeyMHOAWYIRASPLAH-UHFFFAOYSA-N
XLogP2.45
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.45
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-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036366) is N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is MHOAWYIRASPLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-7-13-3-2-6-22(16(13)20-14(11)10-23)17(24)21-15-5-4-12(8-18)9-19-15/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24).
What are the key properties of N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-2-pyridinyl)-7-formyl-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.45, 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-6-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).