1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide

C18H19F3N4O2 — CID 71797111

IUPAC1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)c1=O
InChIInChI=1S/C18H19F3N4O2/c1-25-10-4-6-12(17(25)27)16(26)22-9-8-14-23-13-7-3-2-5-11(13)15(24-14)18(19,20)21/h4,6,10H,2-3,5,7-9H2,1H3,(H,22,26)
InChIKeyKSWWHYGDBLUUKE-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.05
Rot. Bonds4

About 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 71797111) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID71797111
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)c1=O
InChIInChI=1S/C18H19F3N4O2/c1-25-10-4-6-12(17(25)27)16(26)22-9-8-14-23-13-7-3-2-5-11(13)15(24-14)18(19,20)21/h4,6,10H,2-3,5,7-9H2,1H3,(H,22,26)
InChIKeyKSWWHYGDBLUUKE-UHFFFAOYSA-N
XLogP2.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide (CID 71797111) is 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is KSWWHYGDBLUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-25-10-4-6-12(17(25)27)16(26)22-9-8-14-23-13-7-3-2-5-11(13)15(24-14)18(19,20)21/h4,6,10H,2-3,5,7-9H2,1H3,(H,22,26).
What are the key properties of 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).