5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile

C10H14N4O3 — CID 107845850

IUPAC5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NC(CO)(CO)CO
InChIInChI=1S/C10H14N4O3/c11-2-7-1-8(12)3-13-9(7)14-10(4-15,5-16)6-17/h1,3,15-17H,4-6,12H2,(H,13,14)
InChIKeyJQNNMVYSILSTMO-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.34
Rot. Bonds5

About 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile

5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 107845850) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID107845850
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NC(CO)(CO)CO
InChIInChI=1S/C10H14N4O3/c11-2-7-1-8(12)3-13-9(7)14-10(4-15,5-16)6-17/h1,3,15-17H,4-6,12H2,(H,13,14)
InChIKeyJQNNMVYSILSTMO-UHFFFAOYSA-N
XLogP-1.34
TPSA135.42 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile (CID 107845850) is 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NC(CO)(CO)CO.
What is the InChIKey of 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is JQNNMVYSILSTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-2-7-1-8(12)3-13-9(7)14-10(4-15,5-16)6-17/h1,3,15-17H,4-6,12H2,(H,13,14).
What are the key properties of 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile?
5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of -1.34, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 107845850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).