methyl(pyridin-4-yl)carbamic acid

C7H8N2O2 — CID 54205463

IUPACmethyl(pyridin-4-yl)carbamic acid
SMILESCN(C(=O)O)c1ccncc1
InChIInChI=1S/C7H8N2O2/c1-9(7(10)11)6-2-4-8-5-3-6/h2-5H,1H3,(H,10,11)
InChIKeyPSEHYLLAMRHOAI-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.20
Rot. Bonds1

About methyl(pyridin-4-yl)carbamic acid

methyl(pyridin-4-yl)carbamic acid (PubChem CID 54205463) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl(pyridin-4-yl)carbamic acid.

Molecular Properties

Compound Namemethyl(pyridin-4-yl)carbamic acid
PubChem CID54205463
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethyl(pyridin-4-yl)carbamic acid
SMILESCN(C(=O)O)c1ccncc1
InChIInChI=1S/C7H8N2O2/c1-9(7(10)11)6-2-4-8-5-3-6/h2-5H,1H3,(H,10,11)
InChIKeyPSEHYLLAMRHOAI-UHFFFAOYSA-N
XLogP1.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
2,2-dimethyl-3-[methyl(pyridin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106934639
6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106936576
N-methyl-N-pyridin-4-ylcarbamodithioate
CID 58035970
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
3-[methyl(pyridin-4-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184957
2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide
CID 106934733
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
formic acid;methyl(phenyl)carbamic acid
CID 161284118
2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid
CID 106934627

Frequently Asked Questions

What is the IUPAC name of methyl(pyridin-4-yl)carbamic acid?
The IUPAC name of methyl(pyridin-4-yl)carbamic acid (CID 54205463) is methyl(pyridin-4-yl)carbamic acid.
What is the SMILES notation for methyl(pyridin-4-yl)carbamic acid?
The canonical SMILES for methyl(pyridin-4-yl)carbamic acid is CN(C(=O)O)c1ccncc1.
What is the InChIKey of methyl(pyridin-4-yl)carbamic acid?
The InChIKey is PSEHYLLAMRHOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-9(7(10)11)6-2-4-8-5-3-6/h2-5H,1H3,(H,10,11).
What are the key properties of methyl(pyridin-4-yl)carbamic acid?
methyl(pyridin-4-yl)carbamic acid has a molecular weight of 152.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pyridin-4-yl)carbamic acid is sourced from PubChem (CID 54205463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).