N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine

C25H25Cl2N3 — CID 163865509

IUPACN-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine
SMILESClc1ccccc1C(c1ccccc1Cl)N1C2CCC1C(CNc1cccnc1)C2
InChIInChI=1S/C25H25Cl2N3/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)30-19-11-12-24(30)17(14-19)15-29-18-6-5-13-28-16-18/h1-10,13,16-17,19,24-25,29H,11-12,14-15H2
InChIKeyPGGTUKQVUCAODN-UHFFFAOYSA-N
MW438.40 g/mol
LogP6.44
Rot. Bonds6

About N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine

N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine (PubChem CID 163865509) has the molecular formula C25H25Cl2N3 and a molecular weight of 438.40 g/mol. Its IUPAC name is N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine
PubChem CID163865509
Molecular FormulaC25H25Cl2N3
Molecular Weight438.40 g/mol
Exact Mass437.14
IUPAC NameN-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine
SMILESClc1ccccc1C(c1ccccc1Cl)N1C2CCC1C(CNc1cccnc1)C2
InChIInChI=1S/C25H25Cl2N3/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)30-19-11-12-24(30)17(14-19)15-29-18-6-5-13-28-16-18/h1-10,13,16-17,19,24-25,29H,11-12,14-15H2
InChIKeyPGGTUKQVUCAODN-UHFFFAOYSA-N
XLogP6.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine with MolForge

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Related Compounds

[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 118718267
7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 143452892
N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine
CID 173142630
8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 56660325
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
N-[[(4aS,7aS)-4-(pyridin-4-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyridin-3-amine
CID 133144979
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141
8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100
N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 44562654
3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide
CID 54774919
8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
CID 44574706
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
CID 18101923

Frequently Asked Questions

What is the IUPAC name of N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine?
The IUPAC name of N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine (CID 163865509) is N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine is Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1C(CNc1cccnc1)C2.
What is the InChIKey of N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine?
The InChIKey is PGGTUKQVUCAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)30-19-11-12-24(30)17(14-19)15-29-18-6-5-13-28-16-18/h1-10,13,16-17,19,24-25,29H,11-12,14-15H2.
What are the key properties of N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine?
N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine has a molecular weight of 438.40 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 163865509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).