[4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate

C9H14N3O6P — CID 15160183

IUPAC[4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
SMILESCc1ncc(COP(=O)(O)O)c(CNC(N)=O)c1O
InChIInChI=1S/C9H14N3O6P/c1-5-8(13)7(3-12-9(10)14)6(2-11-5)4-18-19(15,16)17/h2,13H,3-4H2,1H3,(H3,10,12,14)(H2,15,16,17)
InChIKeyBFIFLAKXANGWDS-UHFFFAOYSA-N
MW291.20 g/mol
LogP-0.13
Rot. Bonds5

About [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate

[4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate (PubChem CID 15160183) has the molecular formula C9H14N3O6P and a molecular weight of 291.20 g/mol. Its IUPAC name is [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
PubChem CID15160183
Molecular FormulaC9H14N3O6P
Molecular Weight291.20 g/mol
Exact Mass291.06
IUPAC Name[4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
SMILESCc1ncc(COP(=O)(O)O)c(CNC(N)=O)c1O
InChIInChI=1S/C9H14N3O6P/c1-5-8(13)7(3-12-9(10)14)6(2-11-5)4-18-19(15,16)17/h2,13H,3-4H2,1H3,(H3,10,12,14)(H2,15,16,17)
InChIKeyBFIFLAKXANGWDS-UHFFFAOYSA-N
XLogP-0.13
TPSA155.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate?
The IUPAC name of [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate (CID 15160183) is [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate.
What is the SMILES notation for [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate?
The canonical SMILES for [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate is Cc1ncc(COP(=O)(O)O)c(CNC(N)=O)c1O.
What is the InChIKey of [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate?
The InChIKey is BFIFLAKXANGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3O6P/c1-5-8(13)7(3-12-9(10)14)6(2-11-5)4-18-19(15,16)17/h2,13H,3-4H2,1H3,(H3,10,12,14)(H2,15,16,17).
What are the key properties of [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate?
[4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate has a molecular weight of 291.20 g/mol, XLogP of -0.13, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(carbamoylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate is sourced from PubChem (CID 15160183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).