3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide

C19H21N3O3 — CID 95383219

IUPAC3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
SMILESC[C@@H](OCC1CC1)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C19H21N3O3/c1-13(25-12-14-5-6-14)18(23)22-17-4-2-3-15(11-17)19(24)21-16-7-9-20-10-8-16/h2-4,7-11,13-14H,5-6,12H2,1H3,(H,22,23)(H,20,21,24)/t13-/m1/s1
InChIKeyOMABCJQVAIIXNZ-CYBMUJFWSA-N
MW339.40 g/mol
LogP3.09
Rot. Bonds7

About 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide

3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide (PubChem CID 95383219) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
PubChem CID95383219
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
SMILESC[C@@H](OCC1CC1)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C19H21N3O3/c1-13(25-12-14-5-6-14)18(23)22-17-4-2-3-15(11-17)19(24)21-16-7-9-20-10-8-16/h2-4,7-11,13-14H,5-6,12H2,1H3,(H,22,23)(H,20,21,24)/t13-/m1/s1
InChIKeyOMABCJQVAIIXNZ-CYBMUJFWSA-N
XLogP3.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383218
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
CID 86847260
5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
CID 97342418
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48500260

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide (CID 95383219) is 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide is C[C@@H](OCC1CC1)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide?
The InChIKey is OMABCJQVAIIXNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(25-12-14-5-6-14)18(23)22-17-4-2-3-15(11-17)19(24)21-16-7-9-20-10-8-16/h2-4,7-11,13-14H,5-6,12H2,1H3,(H,22,23)(H,20,21,24)/t13-/m1/s1.
What are the key properties of 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide?
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 95383219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).