N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine

C17H27N3O — CID 95825664

IUPACN-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(c2cccc(NC[C@]3(C)CCCO3)n2)CC1
InChIInChI=1S/C17H27N3O/c1-17(9-4-12-21-17)13-18-16-6-3-5-15(19-16)14-7-10-20(2)11-8-14/h3,5-6,14H,4,7-13H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyCVXYYIRTIFQNNX-KRWDZBQOSA-N
MW289.42 g/mol
LogP2.87
Rot. Bonds4

About N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine

N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 95825664) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID95825664
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(c2cccc(NC[C@]3(C)CCCO3)n2)CC1
InChIInChI=1S/C17H27N3O/c1-17(9-4-12-21-17)13-18-16-6-3-5-15(19-16)14-7-10-20(2)11-8-14/h3,5-6,14H,4,7-13H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyCVXYYIRTIFQNNX-KRWDZBQOSA-N
XLogP2.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 95825664) is N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine is CN1CCC(c2cccc(NC[C@]3(C)CCCO3)n2)CC1.
What is the InChIKey of N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is CVXYYIRTIFQNNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(9-4-12-21-17)13-18-16-6-3-5-15(19-16)14-7-10-20(2)11-8-14/h3,5-6,14H,4,7-13H2,1-2H3,(H,18,19)/t17-/m0/s1.
What are the key properties of N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine?
N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 95825664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).