N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide

C22H29N3O — CID 166200582

IUPACN-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CNCc3cccnc3C)CCCC2)cc1C
InChIInChI=1S/C22H29N3O/c1-16-8-9-20(13-17(16)2)25-21(26)22(10-4-5-11-22)15-23-14-19-7-6-12-24-18(19)3/h6-9,12-13,23H,4-5,10-11,14-15H2,1-3H3,(H,25,26)
InChIKeyGRRZEORCBYWDGN-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.30
Rot. Bonds6

About N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide

N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide (PubChem CID 166200582) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide
PubChem CID166200582
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CNCc3cccnc3C)CCCC2)cc1C
InChIInChI=1S/C22H29N3O/c1-16-8-9-20(13-17(16)2)25-21(26)22(10-4-5-11-22)15-23-14-19-7-6-12-24-18(19)3/h6-9,12-13,23H,4-5,10-11,14-15H2,1-3H3,(H,25,26)
InChIKeyGRRZEORCBYWDGN-UHFFFAOYSA-N
XLogP4.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methylamino]methyl]benzoic acid
CID 122031736
1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 119810650
1-[[(3-amino-2-methylbutanoyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 120501902
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339036
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
CID 119339009
N-[(1-ethylcyclobutyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115684507
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
CID 120637216
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide (CID 166200582) is N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(CNCc3cccnc3C)CCCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide?
The InChIKey is GRRZEORCBYWDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-8-9-20(13-17(16)2)25-21(26)22(10-4-5-11-22)15-23-14-19-7-6-12-24-18(19)3/h6-9,12-13,23H,4-5,10-11,14-15H2,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide?
N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 166200582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).