methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate

C17H21N5O3 — CID 124615103

IUPACmethyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1
InChIInChI=1S/C17H21N5O3/c1-12-3-5-21(10-15(12)22-6-4-18-11-22)17(24)20-14-7-13(8-19-9-14)16(23)25-2/h4,6-9,11-12,15H,3,5,10H2,1-2H3,(H,20,24)/t12-,15+/m1/s1
InChIKeyHZDKEAKGGZEHDO-DOMZBBRYSA-N
MW343.39 g/mol
LogP2.18
Rot. Bonds3

About methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate

methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate (PubChem CID 124615103) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
PubChem CID124615103
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Namemethyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1
InChIInChI=1S/C17H21N5O3/c1-12-3-5-21(10-15(12)22-6-4-18-11-22)17(24)20-14-7-13(8-19-9-14)16(23)25-2/h4,6-9,11-12,15H,3,5,10H2,1-2H3,(H,20,24)/t12-,15+/m1/s1
InChIKeyHZDKEAKGGZEHDO-DOMZBBRYSA-N
XLogP2.18
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024367
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 136514717
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate (CID 124615103) is methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate is COC(=O)c1cncc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1.
What is the InChIKey of methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate?
The InChIKey is HZDKEAKGGZEHDO-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-3-5-21(10-15(12)22-6-4-18-11-22)17(24)20-14-7-13(8-19-9-14)16(23)25-2/h4,6-9,11-12,15H,3,5,10H2,1-2H3,(H,20,24)/t12-,15+/m1/s1.
What are the key properties of methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate?
methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 124615103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).