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

C22H24N6O — CID 109283746

IUPACN-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C22H24N6O/c29-22(27-18-4-6-19(7-5-18)28-12-2-1-3-13-28)20-15-26-21(16-24-20)25-14-17-8-10-23-11-9-17/h4-11,15-16H,1-3,12-14H2,(H,25,26)(H,27,29)
InChIKeyAHCYXOSSVHJSMA-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.73
Rot. Bonds6

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

N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283746) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283746
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C22H24N6O/c29-22(27-18-4-6-19(7-5-18)28-12-2-1-3-13-28)20-15-26-21(16-24-20)25-14-17-8-10-23-11-9-17/h4-11,15-16H,1-3,12-14H2,(H,25,26)(H,27,29)
InChIKeyAHCYXOSSVHJSMA-UHFFFAOYSA-N
XLogP3.73
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.73
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

5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109283745
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-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (CID 109283746) is N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cnc(NCc2ccncc2)cn1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is AHCYXOSSVHJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(27-18-4-6-19(7-5-18)28-12-2-1-3-13-28)20-15-26-21(16-24-20)25-14-17-8-10-23-11-9-17/h4-11,15-16H,1-3,12-14H2,(H,25,26)(H,27,29).
What are the key properties of N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).