N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine

C34H40Cl2N4O2 — CID 146207133

IUPACN-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CNC(C)(C)C)c(OC)n4)c3Cl)c2Cl)ccc1CNC(C)(C)C
InChIInChI=1S/C34H40Cl2N4O2/c1-33(2,3)37-19-21-15-17-27(39-31(21)41-7)25-13-9-11-23(29(25)35)24-12-10-14-26(30(24)36)28-18-16-22(32(40-28)42-8)20-38-34(4,5)6/h9-18,37-38H,19-20H2,1-8H3
InChIKeyIAVNIBINOAKCEM-UHFFFAOYSA-N
MW607.63 g/mol
LogP8.58
Rot. Bonds9

About N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 146207133) has the molecular formula C34H40Cl2N4O2 and a molecular weight of 607.63 g/mol. Its IUPAC name is N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID146207133
Molecular FormulaC34H40Cl2N4O2
Molecular Weight607.63 g/mol
Exact Mass606.25
IUPAC NameN-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CNC(C)(C)C)c(OC)n4)c3Cl)c2Cl)ccc1CNC(C)(C)C
InChIInChI=1S/C34H40Cl2N4O2/c1-33(2,3)37-19-21-15-17-27(39-31(21)41-7)25-13-9-11-23(29(25)35)24-12-10-14-26(30(24)36)28-18-16-22(32(40-28)42-8)20-38-34(4,5)6/h9-18,37-38H,19-20H2,1-8H3
InChIKeyIAVNIBINOAKCEM-UHFFFAOYSA-N
XLogP8.58
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.63
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 146207133) is N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNC(C)(C)C)c(OC)n4)c3Cl)c2Cl)ccc1CNC(C)(C)C.
What is the InChIKey of N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IAVNIBINOAKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40Cl2N4O2/c1-33(2,3)37-19-21-15-17-27(39-31(21)41-7)25-13-9-11-23(29(25)35)24-12-10-14-26(30(24)36)28-18-16-22(32(40-28)42-8)20-38-34(4,5)6/h9-18,37-38H,19-20H2,1-8H3.
What are the key properties of N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 607.63 g/mol, XLogP of 8.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-[3-[5-[(tert-butylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 146207133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).