(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide

C16H23N5O — CID 97279364

IUPAC(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NCCNc1cccnc1
InChIInChI=1S/C16H23N5O/c1-12(2)15-19-9-10-21(15)13(3)16(22)20-8-7-18-14-5-4-6-17-11-14/h4-6,9-13,18H,7-8H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyGDVOQKNGPYEYNB-ZDUSSCGKSA-N
MW301.39 g/mol
LogP2.19
Rot. Bonds7

About (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide (PubChem CID 97279364) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
PubChem CID97279364
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NCCNc1cccnc1
InChIInChI=1S/C16H23N5O/c1-12(2)15-19-9-10-21(15)13(3)16(22)20-8-7-18-14-5-4-6-17-11-14/h4-6,9-13,18H,7-8H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyGDVOQKNGPYEYNB-ZDUSSCGKSA-N
XLogP2.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97272953
N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72841981
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
3-[2-[2-(2-propan-2-ylimidazol-1-yl)propanoylamino]ethoxy]benzoic acid
CID 121498392
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122560829
(2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97274088
(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 72918314
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72890918
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 131931084
2-(2-propan-2-ylimidazol-1-yl)-N-(2-propan-2-yltriazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide (CID 97279364) is (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide is CC(C)c1nccn1[C@@H](C)C(=O)NCCNc1cccnc1.
What is the InChIKey of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
The InChIKey is GDVOQKNGPYEYNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)15-19-9-10-21(15)13(3)16(22)20-8-7-18-14-5-4-6-17-11-14/h4-6,9-13,18H,7-8H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide is sourced from PubChem (CID 97279364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).