N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine

C17H26N6O — CID 166058194

IUPACN-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
SMILESCOc1nccc(C)c1N1CCC(NCc2cn(C)nc2N)CC1
InChIInChI=1S/C17H26N6O/c1-12-4-7-19-17(24-3)15(12)23-8-5-14(6-9-23)20-10-13-11-22(2)21-16(13)18/h4,7,11,14,20H,5-6,8-10H2,1-3H3,(H2,18,21)
InChIKeyVCWYHAMRCYLBKD-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.47
Rot. Bonds5

About N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine

N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine (PubChem CID 166058194) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
PubChem CID166058194
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
SMILESCOc1nccc(C)c1N1CCC(NCc2cn(C)nc2N)CC1
InChIInChI=1S/C17H26N6O/c1-12-4-7-19-17(24-3)15(12)23-8-5-14(6-9-23)20-10-13-11-22(2)21-16(13)18/h4,7,11,14,20H,5-6,8-10H2,1-3H3,(H2,18,21)
InChIKeyVCWYHAMRCYLBKD-UHFFFAOYSA-N
XLogP1.47
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
CID 166058375
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 56814864
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[[1-methyl-3-(3-methylthiophen-2-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485222
(2-methoxy-4-methyl-3-pyridinyl)methanamine
CID 78992169
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
The IUPAC name of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine (CID 166058194) is N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine is COc1nccc(C)c1N1CCC(NCc2cn(C)nc2N)CC1.
What is the InChIKey of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
The InChIKey is VCWYHAMRCYLBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12-4-7-19-17(24-3)15(12)23-8-5-14(6-9-23)20-10-13-11-22(2)21-16(13)18/h4,7,11,14,20H,5-6,8-10H2,1-3H3,(H2,18,21).
What are the key properties of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 166058194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).