N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide

C20H29N3O — CID 25264657

IUPACN-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)ccc1N1CCC(N2CCCC2C)C1
InChIInChI=1S/C20H29N3O/c1-14-12-17(21-20(24)16-5-6-16)7-8-19(14)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24)
InChIKeyLFMNOHYCZLVTQR-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.41
Rot. Bonds4

About N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide

N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 25264657) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID25264657
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)ccc1N1CCC(N2CCCC2C)C1
InChIInChI=1S/C20H29N3O/c1-14-12-17(21-20(24)16-5-6-16)7-8-19(14)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24)
InChIKeyLFMNOHYCZLVTQR-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
CID 25229634
1-Cyclohexyl-3-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263990
1-Cyclohexyl-3-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263991
4-methyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264122
2,2,3,3-tetramethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide
CID 25264658
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopentanecarboxamide
CID 25264794
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
CID 25265380
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxane-4-carboxamide
CID 25265516
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 25265518
3-[acetyl(methyl)amino]-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide
CID 25264117
4-methyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264260

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (CID 25264657) is N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)ccc1N1CCC(N2CCCC2C)C1.
What is the InChIKey of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is LFMNOHYCZLVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-12-17(21-20(24)16-5-6-16)7-8-19(14)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25264657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).