N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide

C15H25N3O2 — CID 60928332

IUPACN-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCCCn1cc(NC(=O)CCCNC(C)C)ccc1=O
InChIInChI=1S/C15H25N3O2/c1-4-10-18-11-13(7-8-15(18)20)17-14(19)6-5-9-16-12(2)3/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyHJLLGBVOTFUYGG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.98
Rot. Bonds8

About N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide

N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60928332) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
PubChem CID60928332
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCCCn1cc(NC(=O)CCCNC(C)C)ccc1=O
InChIInChI=1S/C15H25N3O2/c1-4-10-18-11-13(7-8-15(18)20)17-14(19)6-5-9-16-12(2)3/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyHJLLGBVOTFUYGG-UHFFFAOYSA-N
XLogP1.98
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
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
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096
2-(cyclopropylamino)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 54862565
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide (CID 60928332) is N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide is CCCn1cc(NC(=O)CCCNC(C)C)ccc1=O.
What is the InChIKey of N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is HJLLGBVOTFUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-10-18-11-13(7-8-15(18)20)17-14(19)6-5-9-16-12(2)3/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.98, 8 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)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60928332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).