N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide

C21H26N4O2 — CID 118776111

IUPACN-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C21H26N4O2/c1-15-9-10-18(23-20(26)17-7-3-4-8-17)12-19(15)24-21(27)25(2)14-16-6-5-11-22-13-16/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBTRJRXQWOZXLDF-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.18
Rot. Bonds5

About N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide

N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide (PubChem CID 118776111) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide
PubChem CID118776111
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C21H26N4O2/c1-15-9-10-18(23-20(26)17-7-3-4-8-17)12-19(15)24-21(27)25(2)14-16-6-5-11-22-13-16/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBTRJRXQWOZXLDF-UHFFFAOYSA-N
XLogP4.18
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742102
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148824
N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide
CID 131941436
3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
CID 59607052
N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 75371409
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide (CID 118776111) is N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)N(C)Cc1cccnc1.
What is the InChIKey of N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide?
The InChIKey is BTRJRXQWOZXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-9-10-18(23-20(26)17-7-3-4-8-17)12-19(15)24-21(27)25(2)14-16-6-5-11-22-13-16/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide?
N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 118776111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).