2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid

C14H19N3O3 — CID 79846030

IUPAC2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid
SMILESCN(C)C(=O)c1cc(NC2(CC(=O)O)CCC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-17(2)13(20)11-8-10(4-7-15-11)16-14(5-3-6-14)9-12(18)19/h4,7-8H,3,5-6,9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyFFEGKMHLEQMZOJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.59
Rot. Bonds5

About 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid (PubChem CID 79846030) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid
PubChem CID79846030
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid
SMILESCN(C)C(=O)c1cc(NC2(CC(=O)O)CCC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-17(2)13(20)11-8-10(4-7-15-11)16-14(5-3-6-14)9-12(18)19/h4,7-8H,3,5-6,9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyFFEGKMHLEQMZOJ-UHFFFAOYSA-N
XLogP1.59
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid
CID 131219428
4-[(1-methoxycyclobutyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103989633
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
N,N-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
CID 107425785
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
CID 166332692
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-[[1-(aminomethyl)cyclohexyl]amino]-N-ethylpyridine-2-carboxamide
CID 63759268
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid (CID 79846030) is 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid is CN(C)C(=O)c1cc(NC2(CC(=O)O)CCC2)ccn1.
What is the InChIKey of 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid?
The InChIKey is FFEGKMHLEQMZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17(2)13(20)11-8-10(4-7-15-11)16-14(5-3-6-14)9-12(18)19/h4,7-8H,3,5-6,9H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).