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

C14H23N3O2 — CID 54862576

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCCn1cc(NC(=O)CCCNC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O2/c1-4-17-10-12(7-8-14(17)19)16-13(18)6-5-9-15-11(2)3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyBMXBWTGXCLIXSN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds7

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

N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide (PubChem CID 54862576) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
PubChem CID54862576
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCCn1cc(NC(=O)CCCNC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O2/c1-4-17-10-12(7-8-14(17)19)16-13(18)6-5-9-15-11(2)3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyBMXBWTGXCLIXSN-UHFFFAOYSA-N
XLogP1.58
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
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-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide (CID 54862576) is N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide is CCn1cc(NC(=O)CCCNC(C)C)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is BMXBWTGXCLIXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17-10-12(7-8-14(17)19)16-13(18)6-5-9-15-11(2)3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54862576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).