N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide

C16H14ClF3N4O2 — CID 118485002

IUPACN-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnc(C2CNCCO2)c(Cl)c1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N4O2/c17-11-6-10(7-23-14(11)12-8-21-3-4-26-12)24-15(25)9-1-2-22-13(5-9)16(18,19)20/h1-2,5-7,12,21H,3-4,8H2,(H,24,25)
InChIKeyYOGFMNHLIBWKNO-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.06
Rot. Bonds3

About N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide

N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 118485002) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID118485002
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC NameN-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnc(C2CNCCO2)c(Cl)c1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N4O2/c17-11-6-10(7-23-14(11)12-8-21-3-4-26-12)24-15(25)9-1-2-22-13(5-9)16(18,19)20/h1-2,5-7,12,21H,3-4,8H2,(H,24,25)
InChIKeyYOGFMNHLIBWKNO-UHFFFAOYSA-N
XLogP3.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide (CID 118485002) is N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide is O=C(Nc1cnc(C2CNCCO2)c(Cl)c1)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is YOGFMNHLIBWKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c17-11-6-10(7-23-14(11)12-8-21-3-4-26-12)24-15(25)9-1-2-22-13(5-9)16(18,19)20/h1-2,5-7,12,21H,3-4,8H2,(H,24,25).
What are the key properties of N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 386.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118485002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).