N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine

C21H32N4 — CID 90146384

IUPACN-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccnc(N(C)C3C4CC5CC(C4)CC3C5)c2)CC1
InChIInChI=1S/C21H32N4/c1-23-5-7-25(8-6-23)19-3-4-22-20(14-19)24(2)21-17-10-15-9-16(12-17)13-18(21)11-15/h3-4,14-18,21H,5-13H2,1-2H3
InChIKeyPQQBICMCBGQCDJ-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.09
Rot. Bonds3

About N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine

N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 90146384) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
PubChem CID90146384
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC NameN-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccnc(N(C)C3C4CC5CC(C4)CC3C5)c2)CC1
InChIInChI=1S/C21H32N4/c1-23-5-7-25(8-6-23)19-3-4-22-20(14-19)24(2)21-17-10-15-9-16(12-17)13-18(21)11-15/h3-4,14-18,21H,5-13H2,1-2H3
InChIKeyPQQBICMCBGQCDJ-UHFFFAOYSA-N
XLogP3.09
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 66816011
N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
CID 25216821
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 145392722
2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175777554
2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 135839351
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
CID 163230195
1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
CID 25218150
4-(4-methylpiperazin-1-yl)-N-[(1S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 58227229
2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one
CID 143079223
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 90146384) is N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine is CN1CCN(c2ccnc(N(C)C3C4CC5CC(C4)CC3C5)c2)CC1.
What is the InChIKey of N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is PQQBICMCBGQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-23-5-7-25(8-6-23)19-3-4-22-20(14-19)24(2)21-17-10-15-9-16(12-17)13-18(21)11-15/h3-4,14-18,21H,5-13H2,1-2H3.
What are the key properties of N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 340.52 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 90146384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).