N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide

C14H22N4O2 — CID 79400978

IUPACN-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
SMILESCCCn1ccnc(NCCCC(=O)NC2CC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-2-9-18-10-8-16-13(14(18)20)15-7-3-4-12(19)17-11-5-6-11/h8,10-11H,2-7,9H2,1H3,(H,15,16)(H,17,19)
InChIKeyPENGEAIYKMSGJU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.12
Rot. Bonds8

About N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide

N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide (PubChem CID 79400978) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
PubChem CID79400978
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
SMILESCCCn1ccnc(NCCCC(=O)NC2CC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-2-9-18-10-8-16-13(14(18)20)15-7-3-4-12(19)17-11-5-6-11/h8,10-11H,2-7,9H2,1H3,(H,15,16)(H,17,19)
InChIKeyPENGEAIYKMSGJU-UHFFFAOYSA-N
XLogP1.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.12
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

4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
6-[(3-oxo-4-propylpyrazin-2-yl)amino]hexanoic acid
CID 62938901
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
3-[3-(2-chloroethoxy)propylamino]-1-propylpyrazin-2-one
CID 114171266
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide (CID 79400978) is N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide is CCCn1ccnc(NCCCC(=O)NC2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
The InChIKey is PENGEAIYKMSGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-9-18-10-8-16-13(14(18)20)15-7-3-4-12(19)17-11-5-6-11/h8,10-11H,2-7,9H2,1H3,(H,15,16)(H,17,19).
What are the key properties of N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide has a molecular weight of 278.36 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide is sourced from PubChem (CID 79400978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).