3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide

C24H37N5O2 — CID 25264117

IUPAC3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)C1
InChIInChI=1S/C24H37N5O2/c1-17-14-20(25-24(31)28-13-9-21(15-28)26(4)19(3)30)7-8-23(17)27-12-10-22(16-27)29-11-5-6-18(29)2/h7-8,14,18,21-22H,5-6,9-13,15-16H2,1-4H3,(H,25,31)
InChIKeyXPNGRYZHYABEFS-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.14
Rot. Bonds4

About 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide

3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 25264117) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID25264117
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)C1
InChIInChI=1S/C24H37N5O2/c1-17-14-20(25-24(31)28-13-9-21(15-28)26(4)19(3)30)7-8-23(17)27-12-10-22(16-27)29-11-5-6-18(29)2/h7-8,14,18,21-22H,5-6,9-13,15-16H2,1-4H3,(H,25,31)
InChIKeyXPNGRYZHYABEFS-UHFFFAOYSA-N
XLogP3.14
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide (CID 25264117) is 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide is CC(=O)N(C)C1CCN(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)C1.
What is the InChIKey of 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is XPNGRYZHYABEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-17-14-20(25-24(31)28-13-9-21(15-28)26(4)19(3)30)7-8-23(17)27-12-10-22(16-27)29-11-5-6-18(29)2/h7-8,14,18,21-22H,5-6,9-13,15-16H2,1-4H3,(H,25,31).
What are the key properties of 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide?
3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 25264117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).