1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine

C15H16ClN3 — CID 114924863

IUPAC1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(N2Cc3ccccc3C2)ncc1Cl
InChIInChI=1S/C15H16ClN3/c1-17-7-13-6-15(18-8-14(13)16)19-9-11-4-2-3-5-12(11)10-19/h2-6,8,17H,7,9-10H2,1H3
InChIKeyMPIBLZFMBMAKLI-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.97
Rot. Bonds3

About 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114924863) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID114924863
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(N2Cc3ccccc3C2)ncc1Cl
InChIInChI=1S/C15H16ClN3/c1-17-7-13-6-15(18-8-14(13)16)19-9-11-4-2-3-5-12(11)10-19/h2-6,8,17H,7,9-10H2,1H3
InChIKeyMPIBLZFMBMAKLI-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
CID 114925026
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
CID 114926345
1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927449
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
[5-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]methanamine
CID 114926415
1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185473
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927493
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine (CID 114924863) is 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1cc(N2Cc3ccccc3C2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is MPIBLZFMBMAKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-17-7-13-6-15(18-8-14(13)16)19-9-11-4-2-3-5-12(11)10-19/h2-6,8,17H,7,9-10H2,1H3.
What are the key properties of 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 273.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114924863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).