N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide

C14H21N5O2 — CID 107376158

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCC(=O)NC2CC2)cn1
InChIInChI=1S/C14H21N5O2/c1-2-15-12-9-17-11(8-18-12)14(21)16-7-3-4-13(20)19-10-5-6-10/h8-10H,2-7H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyRGHDBMAEMIBMBG-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.70
Rot. Bonds8

About N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107376158) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107376158
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCC(=O)NC2CC2)cn1
InChIInChI=1S/C14H21N5O2/c1-2-15-12-9-17-11(8-18-12)14(21)16-7-3-4-13(20)19-10-5-6-10/h8-10H,2-7H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyRGHDBMAEMIBMBG-UHFFFAOYSA-N
XLogP0.70
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378131
N-(1-cyclopropylpyrrolidin-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374989
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
CID 107375001
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
N-(2-cyclopropylpropan-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 114112374
N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377291
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide (CID 107376158) is N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCCCC(=O)NC2CC2)cn1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is RGHDBMAEMIBMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-15-12-9-17-11(8-18-12)14(21)16-7-3-4-13(20)19-10-5-6-10/h8-10H,2-7H2,1H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).