3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

C15H17N5O — CID 42393792

IUPAC3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H17N5O/c16-14-13(17-7-8-18-14)15(21)19-11-3-5-12(6-4-11)20-9-1-2-10-20/h3-8H,1-2,9-10H2,(H2,16,18)(H,19,21)
InChIKeyDDRRFBXJQUDZOH-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 42393792) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID42393792
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H17N5O/c16-14-13(17-7-8-18-14)15(21)19-11-3-5-12(6-4-11)20-9-1-2-10-20/h3-8H,1-2,9-10H2,(H2,16,18)(H,19,21)
InChIKeyDDRRFBXJQUDZOH-UHFFFAOYSA-N
XLogP1.91
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270
3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
N-(4-piperidin-1-ylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110862212
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 110701458
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (CID 42393792) is 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is DDRRFBXJQUDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14-13(17-7-8-18-14)15(21)19-11-3-5-12(6-4-11)20-9-1-2-10-20/h3-8H,1-2,9-10H2,(H2,16,18)(H,19,21).
What are the key properties of 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42393792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).