3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine

C22H23ClN6 — CID 166340936

IUPAC3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine
SMILESClc1cnccc1NC1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1
InChIInChI=1S/C22H23ClN6/c23-19-13-24-9-5-20(19)26-18-7-11-28(12-8-18)22-25-10-6-21(27-22)29-14-16-3-1-2-4-17(16)15-29/h1-6,9-10,13,18H,7-8,11-12,14-15H2,(H,24,26)
InChIKeyUOIUHIPYKHNANV-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.13
Rot. Bonds4

About 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine

3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine (PubChem CID 166340936) has the molecular formula C22H23ClN6 and a molecular weight of 406.92 g/mol. Its IUPAC name is 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine
PubChem CID166340936
Molecular FormulaC22H23ClN6
Molecular Weight406.92 g/mol
Exact Mass406.17
IUPAC Name3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine
SMILESClc1cnccc1NC1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1
InChIInChI=1S/C22H23ClN6/c23-19-13-24-9-5-20(19)26-18-7-11-28(12-8-18)22-25-10-6-21(27-22)29-14-16-3-1-2-4-17(16)15-29/h1-6,9-10,13,18H,7-8,11-12,14-15H2,(H,24,26)
InChIKeyUOIUHIPYKHNANV-UHFFFAOYSA-N
XLogP4.13
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine with MolForge

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Related Compounds

2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 167745438
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562
2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79840057
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
CID 43782400
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine (CID 166340936) is 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine is Clc1cnccc1NC1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1.
What is the InChIKey of 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine?
The InChIKey is UOIUHIPYKHNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6/c23-19-13-24-9-5-20(19)26-18-7-11-28(12-8-18)22-25-10-6-21(27-22)29-14-16-3-1-2-4-17(16)15-29/h1-6,9-10,13,18H,7-8,11-12,14-15H2,(H,24,26).
What are the key properties of 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine?
3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine has a molecular weight of 406.92 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine is sourced from PubChem (CID 166340936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).