N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

C25H26F3N5O2 — CID 142781401

IUPACN'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESO=C(NNCc1ccncc1)c1cccnc1-c1ccc(C(F)(F)F)c(OCCN2CCCC2)c1
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)21-6-5-19(16-22(21)35-15-14-33-12-1-2-13-33)23-20(4-3-9-30-23)24(34)32-31-17-18-7-10-29-11-8-18/h3-11,16,31H,1-2,12-15,17H2,(H,32,34)
InChIKeyDGHXQKVEZYEOQC-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.07
Rot. Bonds9

About N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (PubChem CID 142781401) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
PubChem CID142781401
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESO=C(NNCc1ccncc1)c1cccnc1-c1ccc(C(F)(F)F)c(OCCN2CCCC2)c1
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)21-6-5-19(16-22(21)35-15-14-33-12-1-2-13-33)23-20(4-3-9-30-23)24(34)32-31-17-18-7-10-29-11-8-18/h3-11,16,31H,1-2,12-15,17H2,(H,32,34)
InChIKeyDGHXQKVEZYEOQC-UHFFFAOYSA-N
XLogP4.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide
CID 161026230
2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 141199162
N-[3-[2-(methanesulfonamido)ethoxy]-4-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10097808
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N-[4-tert-butyl-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 11753250
N-[3-[(1-methylpiperidin-2-yl)methoxy]-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 87959098
2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
CID 151220476
N-[4-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperidin-1-ylethoxy)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 87959100
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 11328609
N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 69347131
N-[4-tert-butyl-3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030443

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (CID 142781401) is N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is O=C(NNCc1ccncc1)c1cccnc1-c1ccc(C(F)(F)F)c(OCCN2CCCC2)c1.
What is the InChIKey of N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The InChIKey is DGHXQKVEZYEOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c26-25(27,28)21-6-5-19(16-22(21)35-15-14-33-12-1-2-13-33)23-20(4-3-9-30-23)24(34)32-31-17-18-7-10-29-11-8-18/h3-11,16,31H,1-2,12-15,17H2,(H,32,34).
What are the key properties of N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide has a molecular weight of 485.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 142781401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).