(5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid

C8H11N3O3 — CID 90022266

IUPAC(5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid
SMILESCOc1cc(N)cnc1N(C)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-11(8(12)13)7-6(14-2)3-5(9)4-10-7/h3-4H,9H2,1-2H3,(H,12,13)
InChIKeyXPZFARPNBDGMKR-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.79
Rot. Bonds2

About (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid

(5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid (PubChem CID 90022266) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid.

Molecular Properties

Compound Name(5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid
PubChem CID90022266
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid
SMILESCOc1cc(N)cnc1N(C)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-11(8(12)13)7-6(14-2)3-5(9)4-10-7/h3-4H,9H2,1-2H3,(H,12,13)
InChIKeyXPZFARPNBDGMKR-UHFFFAOYSA-N
XLogP0.79
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89488552
[1-(5-Methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate
CID 89487995
2-Amino-5-methoxypyridine
CID 11320934
5-Methoxypyridin-3-ylamine
CID 12703595
3-Methoxy-5-nitropyridin-2-amine
CID 53425786
2-(Acetylamino)-3-pyridyl acetate
CID 2800224
3-[2-(Diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 10466600
1-(5-Methoxypyridin-2-yl)piperazine
CID 19032447
5-methoxy-N-methylpyridin-2-amine
CID 20616126
N-Ethyl-3-methoxypyridin-2-amine
CID 28054519
1-(3-Methoxypyridin-2-yl)piperazine
CID 12790495
7-amino-2H,3H,4H-pyrido(3,2-b)(1,4)oxazin-3-one hydrochloride
CID 137942947

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid?
The IUPAC name of (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid (CID 90022266) is (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid.
What is the SMILES notation for (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid?
The canonical SMILES for (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid is COc1cc(N)cnc1N(C)C(=O)O.
What is the InChIKey of (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid?
The InChIKey is XPZFARPNBDGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(8(12)13)7-6(14-2)3-5(9)4-10-7/h3-4H,9H2,1-2H3,(H,12,13).
What are the key properties of (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid?
(5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid has a molecular weight of 197.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methoxy-2-pyridinyl)-methylcarbamic acid is sourced from PubChem (CID 90022266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).