N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide

C13H21N3O2 — CID 54862555

IUPACN-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
SMILESCCCn1cc(NC(=O)CNC(C)C)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-4-7-16-9-11(5-6-13(16)18)15-12(17)8-14-10(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyWJTBCNJSEVBMHR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds6

About N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide

N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide (PubChem CID 54862555) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
PubChem CID54862555
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
SMILESCCCn1cc(NC(=O)CNC(C)C)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-4-7-16-9-11(5-6-13(16)18)15-12(17)8-14-10(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyWJTBCNJSEVBMHR-UHFFFAOYSA-N
XLogP1.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2-(cyclopropylamino)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 54862565
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
2-amino-4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)pentanamide
CID 54862542
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 115431967
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide (CID 54862555) is N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide is CCCn1cc(NC(=O)CNC(C)C)ccc1=O.
What is the InChIKey of N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is WJTBCNJSEVBMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-7-16-9-11(5-6-13(16)18)15-12(17)8-14-10(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54862555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).