N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide

C20H22F3N3O2 — CID 168923951

IUPACN-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)C1(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-2-10-26(13-16(27)14-4-3-9-24-11-14)18(28)19(7-8-19)15-5-6-17(25-12-15)20(21,22)23/h3-6,9,11-12,16,27H,2,7-8,10,13H2,1H3
InChIKeyRFDAPSVPNRDZCW-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.50
Rot. Bonds7

About N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide

N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 168923951) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID168923951
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)C1(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-2-10-26(13-16(27)14-4-3-9-24-11-14)18(28)19(7-8-19)15-5-6-17(25-12-15)20(21,22)23/h3-6,9,11-12,16,27H,2,7-8,10,13H2,1H3
InChIKeyRFDAPSVPNRDZCW-UHFFFAOYSA-N
XLogP3.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
CID 168923813
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379775
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168923909
5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
CID 170307810
5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379666
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
1-(4-methoxyphenyl)-N-methyl-N-(1-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 56745365
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 63392759

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 168923951) is N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide is CCCN(CC(O)c1cccnc1)C(=O)C1(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is RFDAPSVPNRDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-10-26(13-16(27)14-4-3-9-24-11-14)18(28)19(7-8-19)15-5-6-17(25-12-15)20(21,22)23/h3-6,9,11-12,16,27H,2,7-8,10,13H2,1H3.
What are the key properties of N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide?
N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 168923951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).