1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol

C14H23N3O2 — CID 65123093

IUPAC1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
SMILESCOc1nc(NCC2(O)CCCCCC2)ccc1N
InChIInChI=1S/C14H23N3O2/c1-19-13-11(15)6-7-12(17-13)16-10-14(18)8-4-2-3-5-9-14/h6-7,18H,2-5,8-10,15H2,1H3,(H,16,17)
InChIKeyGVJCPVCOLQLDNF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.17
Rot. Bonds4

About 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol

1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol (PubChem CID 65123093) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
PubChem CID65123093
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
SMILESCOc1nc(NCC2(O)CCCCCC2)ccc1N
InChIInChI=1S/C14H23N3O2/c1-19-13-11(15)6-7-12(17-13)16-10-14(18)8-4-2-3-5-9-14/h6-7,18H,2-5,8-10,15H2,1H3,(H,16,17)
InChIKeyGVJCPVCOLQLDNF-UHFFFAOYSA-N
XLogP2.17
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65102710
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 55259668
2-N-[(1-ethylcyclopentyl)methyl]-6-methoxypyridine-2,5-diamine
CID 114124645
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
6-methoxy-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 43261292
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol (CID 65123093) is 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol is COc1nc(NCC2(O)CCCCCC2)ccc1N.
What is the InChIKey of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is GVJCPVCOLQLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-13-11(15)6-7-12(17-13)16-10-14(18)8-4-2-3-5-9-14/h6-7,18H,2-5,8-10,15H2,1H3,(H,16,17).
What are the key properties of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).