N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

C21H29N5O — CID 109288967

IUPACN,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C21H29N5O/c1-3-11-26(12-4-2)21(27)19-15-23-20(16-22-19)24-17-7-9-18(10-8-17)25-13-5-6-14-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,24)
InChIKeySIDWQAXFXOPEAI-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.08
Rot. Bonds8

About N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109288967) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109288967
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C21H29N5O/c1-3-11-26(12-4-2)21(27)19-15-23-20(16-22-19)24-17-7-9-18(10-8-17)25-13-5-6-14-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,24)
InChIKeySIDWQAXFXOPEAI-UHFFFAOYSA-N
XLogP4.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.08
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

N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288923
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (CID 109288967) is N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is SIDWQAXFXOPEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-11-26(12-4-2)21(27)19-15-23-20(16-22-19)24-17-7-9-18(10-8-17)25-13-5-6-14-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,24).
What are the key properties of N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109288967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).