2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile

C10H14N4O2 — CID 171858087

IUPAC2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile
SMILESCNCC(O)C(O)c1cnc(N)c(C#N)c1
InChIInChI=1S/C10H14N4O2/c1-13-5-8(15)9(16)7-2-6(3-11)10(12)14-4-7/h2,4,8-9,13,15-16H,5H2,1H3,(H2,12,14)
InChIKeyVMYSQHVQHIDXPR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.85
Rot. Bonds4

About 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile

2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile (PubChem CID 171858087) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile
PubChem CID171858087
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile
SMILESCNCC(O)C(O)c1cnc(N)c(C#N)c1
InChIInChI=1S/C10H14N4O2/c1-13-5-8(15)9(16)7-2-6(3-11)10(12)14-4-7/h2,4,8-9,13,15-16H,5H2,1H3,(H2,12,14)
InChIKeyVMYSQHVQHIDXPR-UHFFFAOYSA-N
XLogP-0.85
TPSA115.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857949
S-[4-(6-amino-5-cyano-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171876018
3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
CID 171857762
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
2-chloro-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carbonitrile
CID 171874057
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
ethyl 4-(6-chloro-5-cyano-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897347
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901339
2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile
CID 19826090
2-amino-5-[(1R)-1-hydroxy-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethyl]pyridine-3-carbonitrile
CID 15137762
methyl 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]benzoate
CID 171858622

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile (CID 171858087) is 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile is CNCC(O)C(O)c1cnc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile?
The InChIKey is VMYSQHVQHIDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-5-8(15)9(16)7-2-6(3-11)10(12)14-4-7/h2,4,8-9,13,15-16H,5H2,1H3,(H2,12,14).
What are the key properties of 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile?
2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of -0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile is sourced from PubChem (CID 171858087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).