(2-oxo-1H-pyridin-4-yl)methylcarbamic acid

C7H8N2O3 — CID 68696250

IUPAC(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H8N2O3/c10-6-3-5(1-2-8-6)4-9-7(11)12/h1-3,9H,4H2,(H,8,10)(H,11,12)
InChIKeyQMALJJFLZLBEKH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.14
Rot. Bonds2

About (2-oxo-1H-pyridin-4-yl)methylcarbamic acid

(2-oxo-1H-pyridin-4-yl)methylcarbamic acid (PubChem CID 68696250) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
PubChem CID68696250
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H8N2O3/c10-6-3-5(1-2-8-6)4-9-7(11)12/h1-3,9H,4H2,(H,8,10)(H,11,12)
InChIKeyQMALJJFLZLBEKH-UHFFFAOYSA-N
XLogP0.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(methylaminomethyl)-1H-pyridin-2-one
CID 145154349
(2R)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300672
(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300671
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 89156508
4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 154206821
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 142506794
4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 106345320
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
(3-methylsulfanylphenyl)methylcarbamic acid
CID 69246192
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl)methylcarbamic acid?
The IUPAC name of (2-oxo-1H-pyridin-4-yl)methylcarbamic acid (CID 68696250) is (2-oxo-1H-pyridin-4-yl)methylcarbamic acid.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl)methylcarbamic acid?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl)methylcarbamic acid is O=C(O)NCc1cc[nH]c(=O)c1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl)methylcarbamic acid?
The InChIKey is QMALJJFLZLBEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-3-5(1-2-8-6)4-9-7(11)12/h1-3,9H,4H2,(H,8,10)(H,11,12).
What are the key properties of (2-oxo-1H-pyridin-4-yl)methylcarbamic acid?
(2-oxo-1H-pyridin-4-yl)methylcarbamic acid has a molecular weight of 168.15 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl)methylcarbamic acid is sourced from PubChem (CID 68696250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).