pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone

C19H23N5O — CID 109273648

IUPACpyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(Nc2ccc(N3CCCC3)cc2)cn1)N1CCCC1
InChIInChI=1S/C19H23N5O/c25-19(24-11-3-4-12-24)17-13-21-18(14-20-17)22-15-5-7-16(8-6-15)23-9-1-2-10-23/h5-8,13-14H,1-4,9-12H2,(H,21,22)
InChIKeyFJGIADUFQABNOZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.06
Rot. Bonds4

About pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone

pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone (PubChem CID 109273648) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
PubChem CID109273648
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Namepyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(Nc2ccc(N3CCCC3)cc2)cn1)N1CCCC1
InChIInChI=1S/C19H23N5O/c25-19(24-11-3-4-12-24)17-13-21-18(14-20-17)22-15-5-7-16(8-6-15)23-9-1-2-10-23/h5-8,13-14H,1-4,9-12H2,(H,21,22)
InChIKeyFJGIADUFQABNOZ-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
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

1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
CID 109273685
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone (CID 109273648) is pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone is O=C(c1cnc(Nc2ccc(N3CCCC3)cc2)cn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone?
The InChIKey is FJGIADUFQABNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(24-11-3-4-12-24)17-13-21-18(14-20-17)22-15-5-7-16(8-6-15)23-9-1-2-10-23/h5-8,13-14H,1-4,9-12H2,(H,21,22).
What are the key properties of pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone?
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109273648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).