N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C24H21F3N4O3 — CID 134805769

IUPACN-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c2)N(C(=O)Cc2cccc(C(F)(F)F)c2)CCC3)cn1
InChIInChI=1S/C24H21F3N4O3/c1-34-21-8-7-18(14-29-21)30-23(33)16-12-20-19(28-13-16)6-3-9-31(20)22(32)11-15-4-2-5-17(10-15)24(25,26)27/h2,4-5,7-8,10,12-14H,3,6,9,11H2,1H3,(H,30,33)
InChIKeyYMOKLVNZNTZJRX-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.28
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134805769) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134805769
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c2)N(C(=O)Cc2cccc(C(F)(F)F)c2)CCC3)cn1
InChIInChI=1S/C24H21F3N4O3/c1-34-21-8-7-18(14-29-21)30-23(33)16-12-20-19(28-13-16)6-3-9-31(20)22(32)11-15-4-2-5-17(10-15)24(25,26)27/h2,4-5,7-8,10,12-14H,3,6,9,11H2,1H3,(H,30,33)
InChIKeyYMOKLVNZNTZJRX-UHFFFAOYSA-N
XLogP4.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134805769) is N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1ccc(NC(=O)c2cnc3c(c2)N(C(=O)Cc2cccc(C(F)(F)F)c2)CCC3)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is YMOKLVNZNTZJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-34-21-8-7-18(14-29-21)30-23(33)16-12-20-19(28-13-16)6-3-9-31(20)22(32)11-15-4-2-5-17(10-15)24(25,26)27/h2,4-5,7-8,10,12-14H,3,6,9,11H2,1H3,(H,30,33).
What are the key properties of N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134805769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).