methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate

C17H21N7O3 — CID 19151931

IUPACmethyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(NNC(=O)c3cccnc3)c2N)CC1
InChIInChI=1S/C17H21N7O3/c1-27-17(26)11-4-7-24(8-5-11)15-13(18)14(20-10-21-15)22-23-16(25)12-3-2-6-19-9-12/h2-3,6,9-11H,4-5,7-8,18H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyDPXHETHDYICMOW-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.60
Rot. Bonds5

About methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate

methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 19151931) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID19151931
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Namemethyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(NNC(=O)c3cccnc3)c2N)CC1
InChIInChI=1S/C17H21N7O3/c1-27-17(26)11-4-7-24(8-5-11)15-13(18)14(20-10-21-15)22-23-16(25)12-3-2-6-19-9-12/h2-3,6,9-11H,4-5,7-8,18H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyDPXHETHDYICMOW-UHFFFAOYSA-N
XLogP0.60
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[5-amino-6-[2-(4-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19150761
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070
ethyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142287
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19139326
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19135716
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
CID 19149368
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate (CID 19151931) is methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(NNC(=O)c3cccnc3)c2N)CC1.
What is the InChIKey of methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is DPXHETHDYICMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-27-17(26)11-4-7-24(8-5-11)15-13(18)14(20-10-21-15)22-23-16(25)12-3-2-6-19-9-12/h2-3,6,9-11H,4-5,7-8,18H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate?
methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 19151931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).