(6-oxo-1H-pyridin-3-yl)methylcarbamic acid

C7H8N2O3 — CID 155169577

IUPAC(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C7H8N2O3/c10-6-2-1-5(3-8-6)4-9-7(11)12/h1-3,9H,4H2,(H,8,10)(H,11,12)
InChIKeyXBJLUYZWAURTFQ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.14
Rot. Bonds2

About (6-oxo-1H-pyridin-3-yl)methylcarbamic acid

(6-oxo-1H-pyridin-3-yl)methylcarbamic acid (PubChem CID 155169577) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (6-oxo-1H-pyridin-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
PubChem CID155169577
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C7H8N2O3/c10-6-2-1-5(3-8-6)4-9-7(11)12/h1-3,9H,4H2,(H,8,10)(H,11,12)
InChIKeyXBJLUYZWAURTFQ-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

3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide
CID 146395949
(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 68696250
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 136526696
5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
CID 166233967
5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
CID 138623183
5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
CID 67817743
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
5-(iodomethyl)-1H-pyridin-2-one
CID 126675889
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
CID 57475483

Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyridin-3-yl)methylcarbamic acid?
The IUPAC name of (6-oxo-1H-pyridin-3-yl)methylcarbamic acid (CID 155169577) is (6-oxo-1H-pyridin-3-yl)methylcarbamic acid.
What is the SMILES notation for (6-oxo-1H-pyridin-3-yl)methylcarbamic acid?
The canonical SMILES for (6-oxo-1H-pyridin-3-yl)methylcarbamic acid is O=C(O)NCc1ccc(=O)[nH]c1.
What is the InChIKey of (6-oxo-1H-pyridin-3-yl)methylcarbamic acid?
The InChIKey is XBJLUYZWAURTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-2-1-5(3-8-6)4-9-7(11)12/h1-3,9H,4H2,(H,8,10)(H,11,12).
What are the key properties of (6-oxo-1H-pyridin-3-yl)methylcarbamic acid?
(6-oxo-1H-pyridin-3-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 (6-oxo-1H-pyridin-3-yl)methylcarbamic acid is sourced from PubChem (CID 155169577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).