5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid

C18H24ClN5O2 — CID 72920180

IUPAC5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CCn1ccnc1C1CCCN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C18H24ClN5O2/c1-22(2)8-9-23-7-5-20-16(23)13-4-3-6-24(12-13)17-15(19)10-14(11-21-17)18(25)26/h5,7,10-11,13H,3-4,6,8-9,12H2,1-2H3,(H,25,26)
InChIKeyPFOUSISZANIZGL-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.58
Rot. Bonds6

About 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 72920180) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID72920180
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CCn1ccnc1C1CCCN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C18H24ClN5O2/c1-22(2)8-9-23-7-5-20-16(23)13-4-3-6-24(12-13)17-15(19)10-14(11-21-17)18(25)26/h5,7,10-11,13H,3-4,6,8-9,12H2,1-2H3,(H,25,26)
InChIKeyPFOUSISZANIZGL-UHFFFAOYSA-N
XLogP2.58
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 96572737
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 97191265
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97207431
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
N-[[6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 97200001
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 97275239
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 72920180) is 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid is CN(C)CCn1ccnc1C1CCCN(c2ncc(C(=O)O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PFOUSISZANIZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-22(2)8-9-23-7-5-20-16(23)13-4-3-6-24(12-13)17-15(19)10-14(11-21-17)18(25)26/h5,7,10-11,13H,3-4,6,8-9,12H2,1-2H3,(H,25,26).
What are the key properties of 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 377.88 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 72920180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).