4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile

C18H19BrN4 — CID 133360455

IUPAC4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
SMILESCc1cc(Br)cnc1NC1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H19BrN4/c1-13-10-15(19)12-21-18(13)22-16-6-8-23(9-7-16)17-4-2-14(11-20)3-5-17/h2-5,10,12,16H,6-9H2,1H3,(H,21,22)
InChIKeyTUOMUCXHZUPKHI-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.11
Rot. Bonds3

About 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile

4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile (PubChem CID 133360455) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
PubChem CID133360455
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC Name4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
SMILESCc1cc(Br)cnc1NC1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H19BrN4/c1-13-10-15(19)12-21-18(13)22-16-6-8-23(9-7-16)17-4-2-14(11-20)3-5-17/h2-5,10,12,16H,6-9H2,1H3,(H,21,22)
InChIKeyTUOMUCXHZUPKHI-UHFFFAOYSA-N
XLogP4.11
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine
CID 133360054
5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
CID 79717567
3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284387
5-bromo-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-3-methylpyridin-2-amine
CID 133373826
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284042
5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 76848485

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile?
The IUPAC name of 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile (CID 133360455) is 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile is Cc1cc(Br)cnc1NC1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile?
The InChIKey is TUOMUCXHZUPKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c1-13-10-15(19)12-21-18(13)22-16-6-8-23(9-7-16)17-4-2-14(11-20)3-5-17/h2-5,10,12,16H,6-9H2,1H3,(H,21,22).
What are the key properties of 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile?
4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile has a molecular weight of 371.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133360455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).