2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid

C15H19N3O2 — CID 60839000

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid
SMILESCc1cc(C)c(C#N)c(N(CC(=O)O)C2CCCC2)n1
InChIInChI=1S/C15H19N3O2/c1-10-7-11(2)17-15(13(10)8-16)18(9-14(19)20)12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyFBMQXMYNVCCJHC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.40
Rot. Bonds4

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid (PubChem CID 60839000) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid
PubChem CID60839000
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid
SMILESCc1cc(C)c(C#N)c(N(CC(=O)O)C2CCCC2)n1
InChIInChI=1S/C15H19N3O2/c1-10-7-11(2)17-15(13(10)8-16)18(9-14(19)20)12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyFBMQXMYNVCCJHC-UHFFFAOYSA-N
XLogP2.40
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957492
2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
CID 114785909
2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 60868730
3-(aminomethyl)-N-cyclohexyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61176873
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
CID 80632655
N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
CID 740893
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 3721713
2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
CID 83837701
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 79389955

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid (CID 60839000) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid is Cc1cc(C)c(C#N)c(N(CC(=O)O)C2CCCC2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid?
The InChIKey is FBMQXMYNVCCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-7-11(2)17-15(13(10)8-16)18(9-14(19)20)12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid has a molecular weight of 273.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 60839000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).