5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine

C14H24ClN3O — CID 102700797

IUPAC5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCOC(C)CNc1ccc(Cl)c(CNCC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-10(2)7-16-9-13-12(15)5-6-14(18-13)17-8-11(3)19-4/h5-6,10-11,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyVGJREZUZUAJJAM-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.93
Rot. Bonds8

About 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 102700797) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID102700797
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCOC(C)CNc1ccc(Cl)c(CNCC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-10(2)7-16-9-13-12(15)5-6-14(18-13)17-8-11(3)19-4/h5-6,10-11,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyVGJREZUZUAJJAM-UHFFFAOYSA-N
XLogP2.93
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 102700797) is 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine is COC(C)CNc1ccc(Cl)c(CNCC(C)C)n1.
What is the InChIKey of 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is VGJREZUZUAJJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-10(2)7-16-9-13-12(15)5-6-14(18-13)17-8-11(3)19-4/h5-6,10-11,16H,7-9H2,1-4H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 285.82 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 102700797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).