(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide

C16H25N3O3 — CID 6724746

IUPAC(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)Cc1ccncc1
InChIInChI=1S/C16H25N3O3/c1-3-9-19(10-4-2)16(22)14(12-20)18-15(21)11-13-5-7-17-8-6-13/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyQMEKWQAVNLCMOR-AWEZNQCLSA-N
MW307.39 g/mol
LogP0.75
Rot. Bonds9

About (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide

(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide (PubChem CID 6724746) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
PubChem CID6724746
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)Cc1ccncc1
InChIInChI=1S/C16H25N3O3/c1-3-9-19(10-4-2)16(22)14(12-20)18-15(21)11-13-5-7-17-8-6-13/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyQMEKWQAVNLCMOR-AWEZNQCLSA-N
XLogP0.75
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 6724785
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 4165771
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724762
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-pyridin-4-ylacetamide
CID 6724737
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide
CID 6724757
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242
(2S)-3-hydroxy-N-morpholin-4-yl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724742
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide (CID 6724746) is (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide is CCCN(CCC)C(=O)[C@H](CO)NC(=O)Cc1ccncc1.
What is the InChIKey of (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The InChIKey is QMEKWQAVNLCMOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-9-19(10-4-2)16(22)14(12-20)18-15(21)11-13-5-7-17-8-6-13/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide has a molecular weight of 307.39 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide is sourced from PubChem (CID 6724746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).