2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide

C22H19F3N4O3 — CID 162571091

IUPAC2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide
SMILESO=C(NC1=CC(c2ccc(OC(F)(F)F)cc2)CN=C1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)32-18-5-3-13(4-6-18)16-9-17(12-26-11-16)28-21(31)15-7-8-27-19(10-15)29-20(30)14-1-2-14/h3-10,12,14,16H,1-2,11H2,(H,28,31)(H,27,29,30)
InChIKeyOHIGTHCMYGSDLJ-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.81
Rot. Bonds6

About 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide (PubChem CID 162571091) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide
PubChem CID162571091
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide
SMILESO=C(NC1=CC(c2ccc(OC(F)(F)F)cc2)CN=C1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)32-18-5-3-13(4-6-18)16-9-17(12-26-11-16)28-21(31)15-7-8-27-19(10-15)29-20(30)14-1-2-14/h3-10,12,14,16H,1-2,11H2,(H,28,31)(H,27,29,30)
InChIKeyOHIGTHCMYGSDLJ-UHFFFAOYSA-N
XLogP3.81
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 163828277
N-(3-cyclobutyl-2,3-dihydropyridin-5-yl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 163529684
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 142503787
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233838
2-(cyclopropanecarbonylamino)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 138997636
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide (CID 162571091) is 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide is O=C(NC1=CC(c2ccc(OC(F)(F)F)cc2)CN=C1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide?
The InChIKey is OHIGTHCMYGSDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)32-18-5-3-13(4-6-18)16-9-17(12-26-11-16)28-21(31)15-7-8-27-19(10-15)29-20(30)14-1-2-14/h3-10,12,14,16H,1-2,11H2,(H,28,31)(H,27,29,30).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162571091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).