3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C17H17ClF3N5O2 — CID 10273342

IUPAC3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCNCCNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cccnc1
InChIInChI=1S/C17H17ClF3N5O2/c18-13-8-12(17(19,20)21)10-26-14(13)16(28)25-7-5-22-4-6-24-15(27)11-2-1-3-23-9-11/h1-3,8-10,22H,4-7H2,(H,24,27)(H,25,28)
InChIKeyRDWPZOYCAWOXCG-UHFFFAOYSA-N
MW415.80 g/mol
LogP1.90
Rot. Bonds8

About 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 10273342) has the molecular formula C17H17ClF3N5O2 and a molecular weight of 415.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID10273342
Molecular FormulaC17H17ClF3N5O2
Molecular Weight415.80 g/mol
Exact Mass415.10
IUPAC Name3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCNCCNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cccnc1
InChIInChI=1S/C17H17ClF3N5O2/c18-13-8-12(17(19,20)21)10-26-14(13)16(28)25-7-5-22-4-6-24-15(27)11-2-1-3-23-9-11/h1-3,8-10,22H,4-7H2,(H,24,27)(H,25,28)
InChIKeyRDWPZOYCAWOXCG-UHFFFAOYSA-N
XLogP1.90
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Befiradol
CID 9865384
Lazabemide
CID 71307
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
CID 6498584
N-(4-chloro-3-(trifluoromethyl)phenyl)picolinamide
CID 8403638
4-(6-Chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2458790
N-(2-{[(3-chlorophenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498557
N-(3-{[(2-chlorophenyl)carbonyl]amino}propyl)pyrazine-2-carboxamide
CID 6498607
4-chloro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyridine-2-carboxamide
CID 16292246
N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 889116
2-chloro-N-(pyridin-3-yl)pyridine-3-carboxamide
CID 1223451
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(fluoromethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10364325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 10273342) is 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCCNCCNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cccnc1.
What is the InChIKey of 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RDWPZOYCAWOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N5O2/c18-13-8-12(17(19,20)21)10-26-14(13)16(28)25-7-5-22-4-6-24-15(27)11-2-1-3-23-9-11/h1-3,8-10,22H,4-7H2,(H,24,27)(H,25,28).
What are the key properties of 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 415.80 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 10273342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).