N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide

C20H21ClFN5O3 — CID 146457967

IUPACN-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NN2CCN(C[C@@H](O)COc3ccc(Cl)c(F)c3)CC2)nc1
InChIInChI=1S/C20H21ClFN5O3/c21-17-3-2-16(9-18(17)22)30-13-15(28)12-26-5-7-27(8-6-26)25-20(29)19-4-1-14(10-23)11-24-19/h1-4,9,11,15,28H,5-8,12-13H2,(H,25,29)/t15-/m1/s1
InChIKeyONNYASVPXAMCAR-OAHLLOKOSA-N
MW433.87 g/mol
LogP1.45
Rot. Bonds7

About N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide

N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide (PubChem CID 146457967) has the molecular formula C20H21ClFN5O3 and a molecular weight of 433.87 g/mol. Its IUPAC name is N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide
PubChem CID146457967
Molecular FormulaC20H21ClFN5O3
Molecular Weight433.87 g/mol
Exact Mass433.13
IUPAC NameN-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NN2CCN(C[C@@H](O)COc3ccc(Cl)c(F)c3)CC2)nc1
InChIInChI=1S/C20H21ClFN5O3/c21-17-3-2-16(9-18(17)22)30-13-15(28)12-26-5-7-27(8-6-26)25-20(29)19-4-1-14(10-23)11-24-19/h1-4,9,11,15,28H,5-8,12-13H2,(H,25,29)/t15-/m1/s1
InChIKeyONNYASVPXAMCAR-OAHLLOKOSA-N
XLogP1.45
TPSA101.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-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

6-chloro-N-[4-[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]quinoline-2-carboxamide
CID 146457744
6-chloro-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]quinoline-2-carboxamide
CID 146457746
N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146458113
6-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]quinoline-2-carboxamide
CID 146458161
N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide
CID 67168973
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide
CID 132091517
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide
CID 132091774
5-chloro-N-[4-[[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
CID 146457766
5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
CID 146457770
N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide
CID 146457969
5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 146458044
5-chloro-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 146458046

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide (CID 146457967) is N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)NN2CCN(C[C@@H](O)COc3ccc(Cl)c(F)c3)CC2)nc1.
What is the InChIKey of N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide?
The InChIKey is ONNYASVPXAMCAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClFN5O3/c21-17-3-2-16(9-18(17)22)30-13-15(28)12-26-5-7-27(8-6-26)25-20(29)19-4-1-14(10-23)11-24-19/h1-4,9,11,15,28H,5-8,12-13H2,(H,25,29)/t15-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide?
N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 146457967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).