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

C16H13F3N4O2 — CID 118036250

IUPAC7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)11-4-6-13(20-8-11)22-15(25)23-7-1-2-10-3-5-12(9-24)21-14(10)23/h3-6,8-9H,1-2,7H2,(H,20,22,25)
InChIKeyBYUZCRJHSPUIHJ-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.29
Rot. Bonds2

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

7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036250) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036250
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)11-4-6-13(20-8-11)22-15(25)23-7-1-2-10-3-5-12(9-24)21-14(10)23/h3-6,8-9H,1-2,7H2,(H,20,22,25)
InChIKeyBYUZCRJHSPUIHJ-UHFFFAOYSA-N
XLogP3.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.29
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-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036250) is 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2.
What is the InChIKey of 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BYUZCRJHSPUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c17-16(18,19)11-4-6-13(20-8-11)22-15(25)23-7-1-2-10-3-5-12(9-24)21-14(10)23/h3-6,8-9H,1-2,7H2,(H,20,22,25).
What are the key properties of 7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 3.29, 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-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).