cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

C19H21N3O3 — CID 166254821

IUPACcis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1
InChIInChI=1S/C19H21N3O3/c23-18(16-3-4-17(10-16)19(24)25)22(12-14-5-8-20-9-6-14)13-15-2-1-7-21-11-15/h1-2,5-9,11,16-17H,3-4,10,12-13H2,(H,24,25)/t16-,17+/m0/s1
InChIKeyTTXMRFBBJPHTJM-DLBZAZTESA-N
MW339.39 g/mol
LogP2.51
Rot. Bonds6

About cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 166254821) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID166254821
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Namecis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1
InChIInChI=1S/C19H21N3O3/c23-18(16-3-4-17(10-16)19(24)25)22(12-14-5-8-20-9-6-14)13-15-2-1-7-21-11-15/h1-2,5-9,11,16-17H,3-4,10,12-13H2,(H,24,25)/t16-,17+/m0/s1
InChIKeyTTXMRFBBJPHTJM-DLBZAZTESA-N
XLogP2.51
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 71876328
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
3-[ethyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120550771
(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120640268
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
5-propyl-N,N-bis(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 75257558
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 166254821) is cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1.
What is the InChIKey of cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is TTXMRFBBJPHTJM-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(16-3-4-17(10-16)19(24)25)22(12-14-5-8-20-9-6-14)13-15-2-1-7-21-11-15/h1-2,5-9,11,16-17H,3-4,10,12-13H2,(H,24,25)/t16-,17+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166254821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).