(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide

C21H26N2O2 — CID 95305125

IUPAC(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
SMILESCc1cc(C)cc([C@@H](NC(=O)[C@H](C)OCC2CC2)c2cccnc2)c1
InChIInChI=1S/C21H26N2O2/c1-14-9-15(2)11-19(10-14)20(18-5-4-8-22-12-18)23-21(24)16(3)25-13-17-6-7-17/h4-5,8-12,16-17,20H,6-7,13H2,1-3H3,(H,23,24)/t16-,20-/m0/s1
InChIKeyUMIVFXOABDLGGW-JXFKEZNVSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds7

About (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide

(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide (PubChem CID 95305125) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
PubChem CID95305125
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
SMILESCc1cc(C)cc([C@@H](NC(=O)[C@H](C)OCC2CC2)c2cccnc2)c1
InChIInChI=1S/C21H26N2O2/c1-14-9-15(2)11-19(10-14)20(18-5-4-8-22-12-18)23-21(24)16(3)25-13-17-6-7-17/h4-5,8-12,16-17,20H,6-7,13H2,1-3H3,(H,23,24)/t16-,20-/m0/s1
InChIKeyUMIVFXOABDLGGW-JXFKEZNVSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 84583948
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide
CID 84584365
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
2-(cyclopropylmethoxy)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 128970530
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51085826
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
CID 125167436
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide (CID 95305125) is (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide is Cc1cc(C)cc([C@@H](NC(=O)[C@H](C)OCC2CC2)c2cccnc2)c1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide?
The InChIKey is UMIVFXOABDLGGW-JXFKEZNVSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-9-15(2)11-19(10-14)20(18-5-4-8-22-12-18)23-21(24)16(3)25-13-17-6-7-17/h4-5,8-12,16-17,20H,6-7,13H2,1-3H3,(H,23,24)/t16-,20-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide?
(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide is sourced from PubChem (CID 95305125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).