2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol

C10H17N3O2 — CID 65313218

IUPAC2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
SMILESCc1ccc(CN)c(NC(CO)CO)n1
InChIInChI=1S/C10H17N3O2/c1-7-2-3-8(4-11)10(12-7)13-9(5-14)6-15/h2-3,9,14-15H,4-6,11H2,1H3,(H,12,13)
InChIKeyDEAZKBQLTPMLQR-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.39
Rot. Bonds5

About 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol

2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol (PubChem CID 65313218) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
PubChem CID65313218
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
SMILESCc1ccc(CN)c(NC(CO)CO)n1
InChIInChI=1S/C10H17N3O2/c1-7-2-3-8(4-11)10(12-7)13-9(5-14)6-15/h2-3,9,14-15H,4-6,11H2,1H3,(H,12,13)
InChIKeyDEAZKBQLTPMLQR-UHFFFAOYSA-N
XLogP-0.39
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
CID 24850913
(2R)-2-[[3-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312676
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
(2R)-2-[[3-fluoro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312754
Dicyclopropyl-methanone O-[2-hydroxy-3-(6-methyl-pyridin-2-ylamino)-propyl]-oxime
CID 10520135
(Z)-5-[6-(methylamino)-3-pyridinyl]pent-4-en-1-ol
CID 49792505
(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol
CID 54669846
[(2S)-5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529251
[(2S)-1,9-dimethyl-5-(3-methylbutyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529256
(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol (CID 65313218) is 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol is Cc1ccc(CN)c(NC(CO)CO)n1.
What is the InChIKey of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
The InChIKey is DEAZKBQLTPMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-2-3-8(4-11)10(12-7)13-9(5-14)6-15/h2-3,9,14-15H,4-6,11H2,1H3,(H,12,13).
What are the key properties of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol has a molecular weight of 211.26 g/mol, XLogP of -0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol is sourced from PubChem (CID 65313218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).