(2-methyl-4-pyridinyl)methylcarbamic acid

C8H10N2O2 — CID 89157251

IUPAC(2-methyl-4-pyridinyl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)ccn1
InChIInChI=1S/C8H10N2O2/c1-6-4-7(2-3-9-6)5-10-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeySSANPRVLMFLEMO-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.16
Rot. Bonds2

About (2-methyl-4-pyridinyl)methylcarbamic acid

(2-methyl-4-pyridinyl)methylcarbamic acid (PubChem CID 89157251) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)methylcarbamic acid
PubChem CID89157251
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(2-methyl-4-pyridinyl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)ccn1
InChIInChI=1S/C8H10N2O2/c1-6-4-7(2-3-9-6)5-10-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeySSANPRVLMFLEMO-UHFFFAOYSA-N
XLogP1.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122557299
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid
CID 23396943
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)methylcarbamic acid?
The IUPAC name of (2-methyl-4-pyridinyl)methylcarbamic acid (CID 89157251) is (2-methyl-4-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (2-methyl-4-pyridinyl)methylcarbamic acid?
The canonical SMILES for (2-methyl-4-pyridinyl)methylcarbamic acid is Cc1cc(CNC(=O)O)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)methylcarbamic acid?
The InChIKey is SSANPRVLMFLEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-4-7(2-3-9-6)5-10-8(11)12/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of (2-methyl-4-pyridinyl)methylcarbamic acid?
(2-methyl-4-pyridinyl)methylcarbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 89157251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).