N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

C21H22N6O — CID 109283603

IUPACN-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C21H22N6O/c28-21(25-13-16-7-9-22-10-8-16)19-14-24-20(15-23-19)26-17-3-5-18(6-4-17)27-11-1-2-12-27/h3-10,14-15H,1-2,11-13H2,(H,24,26)(H,25,28)
InChIKeyIFBAKZRNLLPQCC-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.15
Rot. Bonds6

About N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109283603) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109283603
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C21H22N6O/c28-21(25-13-16-7-9-22-10-8-16)19-14-24-20(15-23-19)26-17-3-5-18(6-4-17)27-11-1-2-12-27/h3-10,14-15H,1-2,11-13H2,(H,24,26)(H,25,28)
InChIKeyIFBAKZRNLLPQCC-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283746
N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (CID 109283603) is N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is O=C(NCc1ccncc1)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is IFBAKZRNLLPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(25-13-16-7-9-22-10-8-16)19-14-24-20(15-23-19)26-17-3-5-18(6-4-17)27-11-1-2-12-27/h3-10,14-15H,1-2,11-13H2,(H,24,26)(H,25,28).
What are the key properties of N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).