N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C21H22F4N4O3 — CID 66968744

IUPACN-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESNC1CNCC(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)(C2CC2)O1
InChIInChI=1S/C21H22F4N4O3/c22-16-5-3-13(7-15(16)20(12-1-2-12)10-27-9-18(26)32-20)29-19(30)17-6-4-14(8-28-17)31-11-21(23,24)25/h3-8,12,18,27H,1-2,9-11,26H2,(H,29,30)
InChIKeyGDPFHPNNKVJVMH-UHFFFAOYSA-N
MW454.42 g/mol
LogP2.92
Rot. Bonds6

About N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 66968744) has the molecular formula C21H22F4N4O3 and a molecular weight of 454.42 g/mol. Its IUPAC name is N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID66968744
Molecular FormulaC21H22F4N4O3
Molecular Weight454.42 g/mol
Exact Mass454.16
IUPAC NameN-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESNC1CNCC(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)(C2CC2)O1
InChIInChI=1S/C21H22F4N4O3/c22-16-5-3-13(7-15(16)20(12-1-2-12)10-27-9-18(26)32-20)29-19(30)17-6-4-14(8-28-17)31-11-21(23,24)25/h3-8,12,18,27H,1-2,9-11,26H2,(H,29,30)
InChIKeyGDPFHPNNKVJVMH-UHFFFAOYSA-N
XLogP2.92
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 50992404
N-[3-[(4S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 147728536
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 123737721
N-[3-[2-amino-6,6-difluoro-4-(fluoromethyl)-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 78094673
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126488561
N-[3-[(1S,5R,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 118866726
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 123170904
N-[3-[2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 76555705
N-[3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 71668198
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733
N-[3-(6-amino-2-methylmorpholin-2-yl)phenyl]-5-chloropyridine-2-carboxamide
CID 67984187
N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 66968744) is N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is NC1CNCC(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)(C2CC2)O1.
What is the InChIKey of N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is GDPFHPNNKVJVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N4O3/c22-16-5-3-13(7-15(16)20(12-1-2-12)10-27-9-18(26)32-20)29-19(30)17-6-4-14(8-28-17)31-11-21(23,24)25/h3-8,12,18,27H,1-2,9-11,26H2,(H,29,30).
What are the key properties of N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 454.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 66968744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).