4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine

C18H27N5 — CID 110105848

IUPAC4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine
SMILESCCc1nc(CN2CCCC(c3ccnc(NC)c3)C2)c(C)[nH]1
InChIInChI=1S/C18H27N5/c1-4-17-21-13(2)16(22-17)12-23-9-5-6-15(11-23)14-7-8-20-18(10-14)19-3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyXJVHALPHGWBKLC-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.10
Rot. Bonds5

About 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine

4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine (PubChem CID 110105848) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine
PubChem CID110105848
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine
SMILESCCc1nc(CN2CCCC(c3ccnc(NC)c3)C2)c(C)[nH]1
InChIInChI=1S/C18H27N5/c1-4-17-21-13(2)16(22-17)12-23-9-5-6-15(11-23)14-7-8-20-18(10-14)19-3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyXJVHALPHGWBKLC-UHFFFAOYSA-N
XLogP3.10
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111774
(4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25274120
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111773
N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 125025536
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125011212
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110105793

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine (CID 110105848) is 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine is CCc1nc(CN2CCCC(c3ccnc(NC)c3)C2)c(C)[nH]1.
What is the InChIKey of 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine?
The InChIKey is XJVHALPHGWBKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-4-17-21-13(2)16(22-17)12-23-9-5-6-15(11-23)14-7-8-20-18(10-14)19-3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine?
4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine has a molecular weight of 313.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 110105848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).