N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine

C27H29ClN2O — CID 170086656

IUPACN-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine
SMILESCOc1nc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CNC1CC(C)C1
InChIInChI=1S/C27H29ClN2O/c1-17-14-20(15-17)29-16-19-12-13-25(30-27(19)31-2)24-11-5-10-23(26(24)28)22-9-4-7-18-6-3-8-21(18)22/h4-5,7,9-13,17,20,29H,3,6,8,14-16H2,1-2H3
InChIKeyZAOBJLGTLWYVQC-UHFFFAOYSA-N
MW433.00 g/mol
LogP6.45
Rot. Bonds6

About N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine

N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine (PubChem CID 170086656) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine
PubChem CID170086656
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC NameN-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine
SMILESCOc1nc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CNC1CC(C)C1
InChIInChI=1S/C27H29ClN2O/c1-17-14-20(15-17)29-16-19-12-13-25(30-27(19)31-2)24-11-5-10-23(26(24)28)22-9-4-7-18-6-3-8-21(18)22/h4-5,7,9-13,17,20,29H,3,6,8,14-16H2,1-2H3
InChIKeyZAOBJLGTLWYVQC-UHFFFAOYSA-N
XLogP6.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol
CID 166809144
N-[[6-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]oxetan-3-amine
CID 175188897
(4S)-4-[2-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(3S)-5-oxopyrrolidin-3-yl]amino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]ethyl]pyrrolidin-2-one
CID 147016367
N-[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclobutylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]cyclobutanamine
CID 170231781
6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one
CID 146207052
(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206736
1-[[5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-3-methoxypyrazin-2-yl]methyl]-3-methylazetidin-3-ol
CID 166809131
2-[[6-[2-chloro-3-[2-chloro-3-[5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]-2-methylpropan-1-ol
CID 146207062
(5R)-5-[[[6-[3-[2-bromo-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206612
1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 146206847
(3R)-N-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-methylidenepyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]oxolan-3-amine
CID 170227716
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206915

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine (CID 170086656) is N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine is COc1nc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CNC1CC(C)C1.
What is the InChIKey of N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine?
The InChIKey is ZAOBJLGTLWYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c1-17-14-20(15-17)29-16-19-12-13-25(30-27(19)31-2)24-11-5-10-23(26(24)28)22-9-4-7-18-6-3-8-21(18)22/h4-5,7,9-13,17,20,29H,3,6,8,14-16H2,1-2H3.
What are the key properties of N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine?
N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine has a molecular weight of 433.00 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 170086656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).