1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine

C20H24N4O — CID 159248411

IUPAC1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2cc(C3=NCc4ccccc43)ccn2)CCO1
InChIInChI=1S/C20H24N4O/c1-23(2)13-17-14-24(9-10-25-17)19-11-15(7-8-21-19)20-18-6-4-3-5-16(18)12-22-20/h3-8,11,17H,9-10,12-14H2,1-2H3
InChIKeyKUYXJPVVQARJCE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.20
Rot. Bonds4

About 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine

1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 159248411) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID159248411
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2cc(C3=NCc4ccccc43)ccn2)CCO1
InChIInChI=1S/C20H24N4O/c1-23(2)13-17-14-24(9-10-25-17)19-11-15(7-8-21-19)20-18-6-4-3-5-16(18)12-22-20/h3-8,11,17H,9-10,12-14H2,1-2H3
InChIKeyKUYXJPVVQARJCE-UHFFFAOYSA-N
XLogP2.20
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 157123664
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
1-[4-(5-ethyl-2-pyridinyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 70962971
N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 86900427
3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126
4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 158201407
2-(bromomethyl)-4-(4-methyl-2-pyridinyl)morpholine
CID 81211013

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine (CID 159248411) is 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(c2cc(C3=NCc4ccccc43)ccn2)CCO1.
What is the InChIKey of 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is KUYXJPVVQARJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23(2)13-17-14-24(9-10-25-17)19-11-15(7-8-21-19)20-18-6-4-3-5-16(18)12-22-20/h3-8,11,17H,9-10,12-14H2,1-2H3.
What are the key properties of 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 336.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 159248411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).