N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide

C21H32N4O2 — CID 125169332

IUPACN-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)NCC[C@@H]2CCCN2C)cc1NC(=O)C1CCCC1
InChIInChI=1S/C21H32N4O2/c1-15-9-10-17(14-19(15)24-20(26)16-6-3-4-7-16)23-21(27)22-12-11-18-8-5-13-25(18)2/h9-10,14,16,18H,3-8,11-13H2,1-2H3,(H,24,26)(H2,22,23,27)/t18-/m0/s1
InChIKeyGYRLBDOZVLYMBS-SFHVURJKSA-N
MW372.51 g/mol
LogP3.73
Rot. Bonds6

About N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide

N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide (PubChem CID 125169332) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
PubChem CID125169332
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)NCC[C@@H]2CCCN2C)cc1NC(=O)C1CCCC1
InChIInChI=1S/C21H32N4O2/c1-15-9-10-17(14-19(15)24-20(26)16-6-3-4-7-16)23-21(27)22-12-11-18-8-5-13-25(18)2/h9-10,14,16,18H,3-8,11-13H2,1-2H3,(H,24,26)(H2,22,23,27)/t18-/m0/s1
InChIKeyGYRLBDOZVLYMBS-SFHVURJKSA-N
XLogP3.73
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 118777640
1-[2-fluoro-5-(methanesulfonamido)phenyl]-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 125168777
1-(4-chloro-2-fluorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 72890023
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
CID 118785519
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide (CID 125169332) is N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)NCC[C@@H]2CCCN2C)cc1NC(=O)C1CCCC1.
What is the InChIKey of N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide?
The InChIKey is GYRLBDOZVLYMBS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15-9-10-17(14-19(15)24-20(26)16-6-3-4-7-16)23-21(27)22-12-11-18-8-5-13-25(18)2/h9-10,14,16,18H,3-8,11-13H2,1-2H3,(H,24,26)(H2,22,23,27)/t18-/m0/s1.
What are the key properties of N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide?
N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 125169332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).