methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate

C13H19N3O3 — CID 114195046

IUPACmethyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC1CCCC1OC
InChIInChI=1S/C13H19N3O3/c1-18-11-5-3-4-9(11)16-10-7-15-12(14)6-8(10)13(17)19-2/h6-7,9,11,16H,3-5H2,1-2H3,(H2,14,15)
InChIKeyKMWHLFODCLMRAM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate

methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate (PubChem CID 114195046) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
PubChem CID114195046
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC1CCCC1OC
InChIInChI=1S/C13H19N3O3/c1-18-11-5-3-4-9(11)16-10-7-15-12(14)6-8(10)13(17)19-2/h6-7,9,11,16H,3-5H2,1-2H3,(H2,14,15)
InChIKeyKMWHLFODCLMRAM-UHFFFAOYSA-N
XLogP1.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate
CID 62087029
methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
CID 114194866
methyl 2-amino-5-(thian-3-ylamino)pyridine-4-carboxylate
CID 114195380
methyl 2,3-difluoro-4-[(2-methoxycyclopentyl)amino]benzoate
CID 79837709
2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoic acid
CID 62089002
5-amino-2-[(2-methoxycyclopentyl)amino]pyridine-4-carboxamide
CID 114090303
methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
CID 114195070
4-amino-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
CID 81243262
2-amino-5-[(4-methylcyclohexyl)amino]pyridine-4-carboxamide
CID 114194775
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
CID 63081988
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate (CID 114195046) is methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1NC1CCCC1OC.
What is the InChIKey of methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate?
The InChIKey is KMWHLFODCLMRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-5-3-4-9(11)16-10-7-15-12(14)6-8(10)13(17)19-2/h6-7,9,11,16H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate?
methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114195046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).