[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid

C8H9N3O3 — CID 151478044

IUPAC[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
SMILESCNC(=O)c1cnccc1NC(=O)O
InChIInChI=1S/C8H9N3O3/c1-9-7(12)5-4-10-3-2-6(5)11-8(13)14/h2-4H,1H3,(H,9,12)(H,10,11)(H,13,14)
InChIKeyPLWHVUGWCHRKCR-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.53
Rot. Bonds2

About [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid

[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid (PubChem CID 151478044) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
PubChem CID151478044
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
SMILESCNC(=O)c1cnccc1NC(=O)O
InChIInChI=1S/C8H9N3O3/c1-9-7(12)5-4-10-3-2-6(5)11-8(13)14/h2-4H,1H3,(H,9,12)(H,10,11)(H,13,14)
InChIKeyPLWHVUGWCHRKCR-UHFFFAOYSA-N
XLogP0.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide
CID 81245976
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 104728161

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid?
The IUPAC name of [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid (CID 151478044) is [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid.
What is the SMILES notation for [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid?
The canonical SMILES for [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid is CNC(=O)c1cnccc1NC(=O)O.
What is the InChIKey of [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid?
The InChIKey is PLWHVUGWCHRKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-9-7(12)5-4-10-3-2-6(5)11-8(13)14/h2-4H,1H3,(H,9,12)(H,10,11)(H,13,14).
What are the key properties of [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid?
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid has a molecular weight of 195.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-4-pyridinyl]carbamic acid is sourced from PubChem (CID 151478044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).