3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile

C10H14N4O3 — CID 107845785

IUPAC3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NC(CO)(CO)CO)ccc1N
InChIInChI=1S/C10H14N4O3/c11-3-8-7(12)1-2-9(13-8)14-10(4-15,5-16)6-17/h1-2,15-17H,4-6,12H2,(H,13,14)
InChIKeyAPKCNSGRMJAEBP-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.34
Rot. Bonds5

About 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile

3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 107845785) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
PubChem CID107845785
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NC(CO)(CO)CO)ccc1N
InChIInChI=1S/C10H14N4O3/c11-3-8-7(12)1-2-9(13-8)14-10(4-15,5-16)6-17/h1-2,15-17H,4-6,12H2,(H,13,14)
InChIKeyAPKCNSGRMJAEBP-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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Related Compounds

2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845614
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703
2-[(5-amino-6-cyano-2-pyridinyl)amino]-2-methylpropanamide
CID 103468133
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile (CID 107845785) is 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile is N#Cc1nc(NC(CO)(CO)CO)ccc1N.
What is the InChIKey of 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is APKCNSGRMJAEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-3-8-7(12)1-2-9(13-8)14-10(4-15,5-16)6-17/h1-2,15-17H,4-6,12H2,(H,13,14).
What are the key properties of 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile?
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-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 3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 107845785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).