2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol

C14H18N4O — CID 79162436

IUPAC2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cnccc2N(C)C)n1
InChIInChI=1S/C14H18N4O/c1-10-4-5-14(19)12(17-10)9-16-11-8-15-7-6-13(11)18(2)3/h4-8,16,19H,9H2,1-3H3
InChIKeyNEPRWPAYADDSRI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds4

About 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 79162436) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID79162436
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cnccc2N(C)C)n1
InChIInChI=1S/C14H18N4O/c1-10-4-5-14(19)12(17-10)9-16-11-8-15-7-6-13(11)18(2)3/h4-8,16,19H,9H2,1-3H3
InChIKeyNEPRWPAYADDSRI-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol (CID 79162436) is 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2cnccc2N(C)C)n1.
What is the InChIKey of 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is NEPRWPAYADDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-5-14(19)12(17-10)9-16-11-8-15-7-6-13(11)18(2)3/h4-8,16,19H,9H2,1-3H3.
What are the key properties of 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79162436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).