4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol

C16H24BrN3O — CID 163265461

IUPAC4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(CN3CCCC3)cc(Br)n2)CC1
InChIInChI=1S/C16H24BrN3O/c17-15-9-12(11-20-7-1-2-8-20)10-16(19-15)18-13-3-5-14(21)6-4-13/h9-10,13-14,21H,1-8,11H2,(H,18,19)
InChIKeyFRZHZFQAVDGIOD-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.16
Rot. Bonds4

About 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol

4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 163265461) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID163265461
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(CN3CCCC3)cc(Br)n2)CC1
InChIInChI=1S/C16H24BrN3O/c17-15-9-12(11-20-7-1-2-8-20)10-16(19-15)18-13-3-5-14(21)6-4-13/h9-10,13-14,21H,1-8,11H2,(H,18,19)
InChIKeyFRZHZFQAVDGIOD-UHFFFAOYSA-N
XLogP3.16
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[[2-bromo-6-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 163265449
6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
CID 163265443
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
4-[[4-(pyrrolidin-1-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
CID 53380351
4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593822
4-[[2-(4-bromoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439827
4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966810
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
4-[[4-(pyrrolidin-1-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 87071083
4-N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172902237
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 103915060
4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 126878454

Frequently Asked Questions

What is the IUPAC name of 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol (CID 163265461) is 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol is OC1CCC(Nc2cc(CN3CCCC3)cc(Br)n2)CC1.
What is the InChIKey of 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is FRZHZFQAVDGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c17-15-9-12(11-20-7-1-2-8-20)10-16(19-15)18-13-3-5-14(21)6-4-13/h9-10,13-14,21H,1-8,11H2,(H,18,19).
What are the key properties of 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 354.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 163265461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).