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

C16H16N4O2 — CID 118037124

IUPAC7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1
InChIInChI=1S/C16H16N4O2/c1-11-4-7-14(17-9-11)19-16(22)20-8-2-3-12-5-6-13(10-21)18-15(12)20/h4-7,9-10H,2-3,8H2,1H3,(H,17,19,22)
InChIKeySKSSJUPWCRCSHD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.58
Rot. Bonds2

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

7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037124) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118037124
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1
InChIInChI=1S/C16H16N4O2/c1-11-4-7-14(17-9-11)19-16(22)20-8-2-3-12-5-6-13(10-21)18-15(12)20/h4-7,9-10H,2-3,8H2,1H3,(H,17,19,22)
InChIKeySKSSJUPWCRCSHD-UHFFFAOYSA-N
XLogP2.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037124) is 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1.
What is the InChIKey of 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SKSSJUPWCRCSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-4-7-14(17-9-11)19-16(22)20-8-2-3-12-5-6-13(10-21)18-15(12)20/h4-7,9-10H,2-3,8H2,1H3,(H,17,19,22).
What are the key properties of 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118037124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).