N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide

C21H24N4O — CID 133396952

IUPACN-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESCc1cc(NCc2cccc(NC(=O)C3CCCC3)c2)c(C#N)c(C)n1
InChIInChI=1S/C21H24N4O/c1-14-10-20(19(12-22)15(2)24-14)23-13-16-6-5-9-18(11-16)25-21(26)17-7-3-4-8-17/h5-6,9-11,17H,3-4,7-8,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyLJYWQVVQQHLWIJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds5

About N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 133396952) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID133396952
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESCc1cc(NCc2cccc(NC(=O)C3CCCC3)c2)c(C#N)c(C)n1
InChIInChI=1S/C21H24N4O/c1-14-10-20(19(12-22)15(2)24-14)23-13-16-6-5-9-18(11-16)25-21(26)17-7-3-4-8-17/h5-6,9-11,17H,3-4,7-8,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyLJYWQVVQQHLWIJ-UHFFFAOYSA-N
XLogP4.31
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide
CID 133396949
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
N-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133303678
2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133411675
N-[3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335548
N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 72840289
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
CID 110916589
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335550
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide (CID 133396952) is N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide is Cc1cc(NCc2cccc(NC(=O)C3CCCC3)c2)c(C#N)c(C)n1.
What is the InChIKey of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is LJYWQVVQQHLWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-10-20(19(12-22)15(2)24-14)23-13-16-6-5-9-18(11-16)25-21(26)17-7-3-4-8-17/h5-6,9-11,17H,3-4,7-8,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 133396952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).