5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H26ClN3O — CID 63708108

IUPAC5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1nc(N(C)CC2CCCOC2)ccc1Cl
InChIInChI=1S/C16H26ClN3O/c1-12(2)18-9-15-14(17)6-7-16(19-15)20(3)10-13-5-4-8-21-11-13/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyAYDFUSCRKJRGPR-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.10
Rot. Bonds6

About 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 63708108) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID63708108
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1nc(N(C)CC2CCCOC2)ccc1Cl
InChIInChI=1S/C16H26ClN3O/c1-12(2)18-9-15-14(17)6-7-16(19-15)20(3)10-13-5-4-8-21-11-13/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyAYDFUSCRKJRGPR-UHFFFAOYSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine with MolForge

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Related Compounds

[3-chloro-6-[methyl(oxan-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 63713496
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293192
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926513
3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 63707725
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288309
[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol
CID 62861534
6-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62283149
[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol
CID 54949040
N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62321214
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62293193
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 63708108) is 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1nc(N(C)CC2CCCOC2)ccc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is AYDFUSCRKJRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-12(2)18-9-15-14(17)6-7-16(19-15)20(3)10-13-5-4-8-21-11-13/h6-7,12-13,18H,4-5,8-11H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 63708108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).