(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide

C20H21N3O2 — CID 95283248

IUPAC(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)c1cccnc1
InChIInChI=1S/C20H21N3O2/c1-14(17-4-3-11-22-13-17)23(18-7-8-18)20(24)15(2)25-19-9-5-16(12-21)6-10-19/h3-6,9-11,13-15,18H,7-8H2,1-2H3/t14-,15-/m0/s1
InChIKeyDARFAQMQMIPZKI-GJZGRUSLSA-N
MW335.41 g/mol
LogP3.47
Rot. Bonds6

About (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide

(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide (PubChem CID 95283248) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
PubChem CID95283248
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)c1cccnc1
InChIInChI=1S/C20H21N3O2/c1-14(17-4-3-11-22-13-17)23(18-7-8-18)20(24)15(2)25-19-9-5-16(12-21)6-10-19/h3-6,9-11,13-15,18H,7-8H2,1-2H3/t14-,15-/m0/s1
InChIKeyDARFAQMQMIPZKI-GJZGRUSLSA-N
XLogP3.47
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95293877
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51096504
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
CID 95145430
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide (CID 95283248) is (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)c1cccnc1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is DARFAQMQMIPZKI-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(17-4-3-11-22-13-17)23(18-7-8-18)20(24)15(2)25-19-9-5-16(12-21)6-10-19/h3-6,9-11,13-15,18H,7-8H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 95283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).