N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide

C16H26N4O — CID 106015591

IUPACN-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCCCC2CCCC2)n1
InChIInChI=1S/C16H26N4O/c1-2-9-18-15-12-17-11-14(20-15)16(21)19-10-5-8-13-6-3-4-7-13/h11-13H,2-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyGHGGWNIRAGVETH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.00
Rot. Bonds8

About N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide

N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide (PubChem CID 106015591) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
PubChem CID106015591
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCCCC2CCCC2)n1
InChIInChI=1S/C16H26N4O/c1-2-9-18-15-12-17-11-14(20-15)16(21)19-10-5-8-13-6-3-4-7-13/h11-13H,2-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyGHGGWNIRAGVETH-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.00
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-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
CID 114036099
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106408660
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide (CID 106015591) is N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide is CCCNc1cncc(C(=O)NCCCC2CCCC2)n1.
What is the InChIKey of N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide?
The InChIKey is GHGGWNIRAGVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-9-18-15-12-17-11-14(20-15)16(21)19-10-5-8-13-6-3-4-7-13/h11-13H,2-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide?
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 106015591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).