6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C22H27N5 — CID 134293613

IUPAC6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cc(C3(C)CCNCC3)cc(N3CC4C5C4C53)n2)c1
InChIInChI=1S/C22H27N5/c1-13-3-6-24-16(9-13)25-17-10-14(22(2)4-7-23-8-5-22)11-18(26-17)27-12-15-19-20(15)21(19)27/h3,6,9-11,15,19-21,23H,4-5,7-8,12H2,1-2H3,(H,24,25,26)
InChIKeyPZHDAEANBVAHEY-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.23
Rot. Bonds4

About 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 134293613) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID134293613
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cc(C3(C)CCNCC3)cc(N3CC4C5C4C53)n2)c1
InChIInChI=1S/C22H27N5/c1-13-3-6-24-16(9-13)25-17-10-14(22(2)4-7-23-8-5-22)11-18(26-17)27-12-15-19-20(15)21(19)27/h3,6,9-11,15,19-21,23H,4-5,7-8,12H2,1-2H3,(H,24,25,26)
InChIKeyPZHDAEANBVAHEY-UHFFFAOYSA-N
XLogP3.23
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine with MolForge

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Related Compounds

4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370
6-(2-azabicyclo[3.1.0]hexan-2-yl)-N-(4-methyl-2-pyridinyl)-4-(oxan-4-yl)pyridin-2-amine
CID 90015475
2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
CID 86342169
N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554705
N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 86342338
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[4-(methyliminomethyl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 154012581
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
N-(3,3-dimethylcyclobutyl)-4-methylpyridin-2-amine
CID 131047920
6-[(4-methyl-2-pyridinyl)amino]-8-(piperidin-4-ylmethylamino)-2H-2,7-naphthyridin-1-one
CID 66925452
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203

Frequently Asked Questions

What is the IUPAC name of 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 134293613) is 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2cc(C3(C)CCNCC3)cc(N3CC4C5C4C53)n2)c1.
What is the InChIKey of 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is PZHDAEANBVAHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-13-3-6-24-16(9-13)25-17-10-14(22(2)4-7-23-8-5-22)11-18(26-17)27-12-15-19-20(15)21(19)27/h3,6,9-11,15,19-21,23H,4-5,7-8,12H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 361.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azatricyclo[3.1.0.02,6]hexan-3-yl)-4-(4-methylpiperidin-4-yl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 134293613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).