N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide

C26H27N5O2 — CID 164756425

IUPACN-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
SMILESC[C@H](CNC(C(=O)Nc1ccc(OC2CNC2)cn1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C26H27N5O2/c1-18(20-9-7-19(13-27)8-10-20)14-30-25(21-5-3-2-4-6-21)26(32)31-24-12-11-22(17-29-24)33-23-15-28-16-23/h2-12,17-18,23,25,28,30H,14-16H2,1H3,(H,29,31,32)/t18-,25?/m1/s1
InChIKeyLVFJAMTZHSODNE-YDONVPIESA-N
MW441.54 g/mol
LogP3.38
Rot. Bonds9

About N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide

N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide (PubChem CID 164756425) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
PubChem CID164756425
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
SMILESC[C@H](CNC(C(=O)Nc1ccc(OC2CNC2)cn1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C26H27N5O2/c1-18(20-9-7-19(13-27)8-10-20)14-30-25(21-5-3-2-4-6-21)26(32)31-24-12-11-22(17-29-24)33-23-15-28-16-23/h2-12,17-18,23,25,28,30H,14-16H2,1H3,(H,29,31,32)/t18-,25?/m1/s1
InChIKeyLVFJAMTZHSODNE-YDONVPIESA-N
XLogP3.38
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)azetidin-3-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623239
N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-phenylacetamide;4-[1-(methylamino)propan-2-yl]benzonitrile
CID 154694158
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515086
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(6-methylpyridazin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515065
N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 175624037
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515098
N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 154694146
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-5-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515094
2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426448
N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139425922
(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide
CID 164515055

Frequently Asked Questions

What is the IUPAC name of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
The IUPAC name of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide (CID 164756425) is N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
The canonical SMILES for N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide is C[C@H](CNC(C(=O)Nc1ccc(OC2CNC2)cn1)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
The InChIKey is LVFJAMTZHSODNE-YDONVPIESA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18(20-9-7-19(13-27)8-10-20)14-30-25(21-5-3-2-4-6-21)26(32)31-24-12-11-22(17-29-24)33-23-15-28-16-23/h2-12,17-18,23,25,28,30H,14-16H2,1H3,(H,29,31,32)/t18-,25?/m1/s1.
What are the key properties of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide has a molecular weight of 441.54 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 164756425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).