N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide

C22H24ClF3N4O3 — CID 163635095

IUPACN-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)C[C@@H]2CCCN(c3ncc(OCC(F)(F)F)cc3Cl)C2)ccn1
InChIInChI=1S/C22H24ClF3N4O3/c1-2-20(32)29-19-9-15(5-6-27-19)18(31)8-14-4-3-7-30(12-14)21-17(23)10-16(11-28-21)33-13-22(24,25)26/h5-6,9-11,14H,2-4,7-8,12-13H2,1H3,(H,27,29,32)/t14-/m0/s1
InChIKeyHZKJLGUAKQDPES-AWEZNQCLSA-N
MW484.91 g/mol
LogP4.91
Rot. Bonds8

About N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide

N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide (PubChem CID 163635095) has the molecular formula C22H24ClF3N4O3 and a molecular weight of 484.91 g/mol. Its IUPAC name is N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide
PubChem CID163635095
Molecular FormulaC22H24ClF3N4O3
Molecular Weight484.91 g/mol
Exact Mass484.15
IUPAC NameN-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)C[C@@H]2CCCN(c3ncc(OCC(F)(F)F)cc3Cl)C2)ccn1
InChIInChI=1S/C22H24ClF3N4O3/c1-2-20(32)29-19-9-15(5-6-27-19)18(31)8-14-4-3-7-30(12-14)21-17(23)10-16(11-28-21)33-13-22(24,25)26/h5-6,9-11,14H,2-4,7-8,12-13H2,1H3,(H,27,29,32)/t14-/m0/s1
InChIKeyHZKJLGUAKQDPES-AWEZNQCLSA-N
XLogP4.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetyl]-6-methyl-2-pyridinyl]-2-methylpropanamide
CID 163448313
2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
CID 175144991
N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67509130
5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 61404189
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide
CID 158943598
N-[[5-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 106589185
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
N-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 166600949
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354160
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide?
The IUPAC name of N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide (CID 163635095) is N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide is CCC(=O)Nc1cc(C(=O)C[C@@H]2CCCN(c3ncc(OCC(F)(F)F)cc3Cl)C2)ccn1.
What is the InChIKey of N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide?
The InChIKey is HZKJLGUAKQDPES-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24ClF3N4O3/c1-2-20(32)29-19-9-15(5-6-27-19)18(31)8-14-4-3-7-30(12-14)21-17(23)10-16(11-28-21)33-13-22(24,25)26/h5-6,9-11,14H,2-4,7-8,12-13H2,1H3,(H,27,29,32)/t14-/m0/s1.
What are the key properties of N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide?
N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide has a molecular weight of 484.91 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 163635095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).