N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide

C15H14ClF3N4O2 — CID 1473951

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl)N1CCOCC1
InChIInChI=1S/C15H14ClF3N4O2/c16-11-8-10(15(17,18)19)9-20-13(11)23-3-1-2-12(23)21-14(24)22-4-6-25-7-5-22/h1-3,8-9H,4-7H2,(H,21,24)
InChIKeyFASOCZSPMSSTIX-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.41
Rot. Bonds2

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide (PubChem CID 1473951) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide
PubChem CID1473951
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl)N1CCOCC1
InChIInChI=1S/C15H14ClF3N4O2/c16-11-8-10(15(17,18)19)9-20-13(11)23-3-1-2-12(23)21-14(24)22-4-6-25-7-5-22/h1-3,8-9H,4-7H2,(H,21,24)
InChIKeyFASOCZSPMSSTIX-UHFFFAOYSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide (CID 1473951) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide is O=C(Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl)N1CCOCC1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide?
The InChIKey is FASOCZSPMSSTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c16-11-8-10(15(17,18)19)9-20-13(11)23-3-1-2-12(23)21-14(24)22-4-6-25-7-5-22/h1-3,8-9H,4-7H2,(H,21,24).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide has a molecular weight of 374.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 1473951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).