[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid

C11H16N3O7P — CID 175372321

IUPAC[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid
SMILESCC(C)(CNC(=O)c1ccc(NC(=O)O)cn1)OP(=O)(O)O
InChIInChI=1S/C11H16N3O7P/c1-11(2,21-22(18,19)20)6-13-9(15)8-4-3-7(5-12-8)14-10(16)17/h3-5,14H,6H2,1-2H3,(H,13,15)(H,16,17)(H2,18,19,20)
InChIKeyKGOAVLMPAQSKCV-UHFFFAOYSA-N
MW333.24 g/mol
LogP0.79
Rot. Bonds6

About [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid

[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid (PubChem CID 175372321) has the molecular formula C11H16N3O7P and a molecular weight of 333.24 g/mol. Its IUPAC name is [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid
PubChem CID175372321
Molecular FormulaC11H16N3O7P
Molecular Weight333.24 g/mol
Exact Mass333.07
IUPAC Name[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid
SMILESCC(C)(CNC(=O)c1ccc(NC(=O)O)cn1)OP(=O)(O)O
InChIInChI=1S/C11H16N3O7P/c1-11(2,21-22(18,19)20)6-13-9(15)8-4-3-7(5-12-8)14-10(16)17/h3-5,14H,6H2,1-2H3,(H,13,15)(H,16,17)(H2,18,19,20)
InChIKeyKGOAVLMPAQSKCV-UHFFFAOYSA-N
XLogP0.79
TPSA158.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 50.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
5-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641317
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
2-N-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-(ethylamino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 104640059
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
5-acetamidopyridine-2-carboxylic acid
CID 5278292

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid (CID 175372321) is [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid is CC(C)(CNC(=O)c1ccc(NC(=O)O)cn1)OP(=O)(O)O.
What is the InChIKey of [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid?
The InChIKey is KGOAVLMPAQSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3O7P/c1-11(2,21-22(18,19)20)6-13-9(15)8-4-3-7(5-12-8)14-10(16)17/h3-5,14H,6H2,1-2H3,(H,13,15)(H,16,17)(H2,18,19,20).
What are the key properties of [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid?
[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid has a molecular weight of 333.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 175372321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).