N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H20F3N3O2 — CID 151283957

IUPACN-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC(O)CC1)c1ccccn1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-6-7-17(25-10-3-4-14(26)8-11-25)16(12-13)24-18(27)15-5-1-2-9-23-15/h1-2,5-7,9,12,14,26H,3-4,8,10-11H2,(H,24,27)
InChIKeyNYZHCUQZVILKAO-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.70
Rot. Bonds3

About N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 151283957) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID151283957
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC(O)CC1)c1ccccn1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-6-7-17(25-10-3-4-14(26)8-11-25)16(12-13)24-18(27)15-5-1-2-9-23-15/h1-2,5-7,9,12,14,26H,3-4,8,10-11H2,(H,24,27)
InChIKeyNYZHCUQZVILKAO-UHFFFAOYSA-N
XLogP3.70
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470932
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 154035549
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209872
1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55687937

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 151283957) is N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC(O)CC1)c1ccccn1.
What is the InChIKey of N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is NYZHCUQZVILKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)13-6-7-17(25-10-3-4-14(26)8-11-25)16(12-13)24-18(27)15-5-1-2-9-23-15/h1-2,5-7,9,12,14,26H,3-4,8,10-11H2,(H,24,27).
What are the key properties of N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 151283957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).