N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H24ClN3 — CID 114412745

IUPACN-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1=CCN(c2ncc(CNC(C)(C)C)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3/c1-12-5-7-20(8-6-12)15-14(17)9-13(10-18-15)11-19-16(2,3)4/h5,9-10,19H,6-8,11H2,1-4H3
InChIKeyRLPONYILMJAPMV-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.78
Rot. Bonds3

About N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114412745) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114412745
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1=CCN(c2ncc(CNC(C)(C)C)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3/c1-12-5-7-20(8-6-12)15-14(17)9-13(10-18-15)11-19-16(2,3)4/h5,9-10,19H,6-8,11H2,1-4H3
InChIKeyRLPONYILMJAPMV-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114412745) is N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC1=CCN(c2ncc(CNC(C)(C)C)cc2Cl)CC1.
What is the InChIKey of N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RLPONYILMJAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-12-5-7-20(8-6-12)15-14(17)9-13(10-18-15)11-19-16(2,3)4/h5,9-10,19H,6-8,11H2,1-4H3.
What are the key properties of N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.84 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114412745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).