(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide

C15H25N3O3 — CID 163240446

IUPAC(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOC(CN(Cc1ccncc1)C(=O)[C@H](C)N)OCC
InChIInChI=1S/C15H25N3O3/c1-4-20-14(21-5-2)11-18(15(19)12(3)16)10-13-6-8-17-9-7-13/h6-9,12,14H,4-5,10-11,16H2,1-3H3/t12-/m0/s1
InChIKeyAXQWLCRDGCZVLW-LBPRGKRZSA-N
MW295.38 g/mol
LogP1.16
Rot. Bonds9

About (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 163240446) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID163240446
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOC(CN(Cc1ccncc1)C(=O)[C@H](C)N)OCC
InChIInChI=1S/C15H25N3O3/c1-4-20-14(21-5-2)11-18(15(19)12(3)16)10-13-6-8-17-9-7-13/h6-9,12,14H,4-5,10-11,16H2,1-3H3/t12-/m0/s1
InChIKeyAXQWLCRDGCZVLW-LBPRGKRZSA-N
XLogP1.16
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 163240345
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide
CID 138469467
methyl 3-[[(2R)-2-aminopropanoyl]-(pyridin-4-ylmethyl)amino]propanoate;hydrochloride
CID 120873027
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
4-[benzyl(2,2-diethoxyethyl)amino]-4-oxobutanoic acid
CID 67447375
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide (CID 163240446) is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide is CCOC(CN(Cc1ccncc1)C(=O)[C@H](C)N)OCC.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is AXQWLCRDGCZVLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-20-14(21-5-2)11-18(15(19)12(3)16)10-13-6-8-17-9-7-13/h6-9,12,14H,4-5,10-11,16H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 163240446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).