2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid

C17H21N5O3 — CID 72878965

IUPAC2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCCC(c3nccn3CC(N)=O)C2)n1
InChIInChI=1S/C17H21N5O3/c1-11-4-5-13(17(24)25)16(20-11)21-7-2-3-12(9-21)15-19-6-8-22(15)10-14(18)23/h4-6,8,12H,2-3,7,9-10H2,1H3,(H2,18,23)(H,24,25)
InChIKeyIDVDOKGIJXGXNX-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.15
Rot. Bonds5

About 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid

2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 72878965) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID72878965
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCCC(c3nccn3CC(N)=O)C2)n1
InChIInChI=1S/C17H21N5O3/c1-11-4-5-13(17(24)25)16(20-11)21-7-2-3-12(9-21)15-19-6-8-22(15)10-14(18)23/h4-6,8,12H,2-3,7,9-10H2,1H3,(H2,18,23)(H,24,25)
InChIKeyIDVDOKGIJXGXNX-UHFFFAOYSA-N
XLogP1.15
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97271410
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867328
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878268
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72837835
2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72868172

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 72878965) is 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCCC(c3nccn3CC(N)=O)C2)n1.
What is the InChIKey of 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is IDVDOKGIJXGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-4-5-13(17(24)25)16(20-11)21-7-2-3-12(9-21)15-19-6-8-22(15)10-14(18)23/h4-6,8,12H,2-3,7,9-10H2,1H3,(H2,18,23)(H,24,25).
What are the key properties of 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 72878965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).