5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

C21H22N6O — CID 109283745

IUPAC5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C21H22N6O/c28-21(26-17-3-5-18(6-4-17)27-11-1-2-12-27)19-14-25-20(15-23-19)24-13-16-7-9-22-10-8-16/h3-10,14-15H,1-2,11-13H2,(H,24,25)(H,26,28)
InChIKeyXBCAPLUTTMXVEZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.34
Rot. Bonds6

About 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109283745) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID109283745
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C21H22N6O/c28-21(26-17-3-5-18(6-4-17)27-11-1-2-12-27)19-14-25-20(15-23-19)24-13-16-7-9-22-10-8-16/h3-10,14-15H,1-2,11-13H2,(H,24,25)(H,26,28)
InChIKeyXBCAPLUTTMXVEZ-UHFFFAOYSA-N
XLogP3.34
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283746
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (CID 109283745) is 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cnc(NCc2ccncc2)cn1.
What is the InChIKey of 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is XBCAPLUTTMXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(26-17-3-5-18(6-4-17)27-11-1-2-12-27)19-14-25-20(15-23-19)24-13-16-7-9-22-10-8-16/h3-10,14-15H,1-2,11-13H2,(H,24,25)(H,26,28).
What are the key properties of 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).