N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine

C18H27N5O — CID 51105107

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2ccc(N3CCCCC3)nc2)c(C)nn1C
InChIInChI=1S/C18H27N5O/c1-14-16(18(24-3)22(2)21-14)13-19-11-15-7-8-17(20-12-15)23-9-5-4-6-10-23/h7-8,12,19H,4-6,9-11,13H2,1-3H3
InChIKeyJNRTWTJCELIXDL-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.41
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine (PubChem CID 51105107) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine
PubChem CID51105107
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2ccc(N3CCCCC3)nc2)c(C)nn1C
InChIInChI=1S/C18H27N5O/c1-14-16(18(24-3)22(2)21-14)13-19-11-15-7-8-17(20-12-15)23-9-5-4-6-10-23/h7-8,12,19H,4-6,9-11,13H2,1-3H3
InChIKeyJNRTWTJCELIXDL-UHFFFAOYSA-N
XLogP2.41
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine with MolForge

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 51105113
N-[(3,5-dimethoxyphenyl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030650
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51105163
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 115600780
1-[6-(azepan-1-yl)-3-pyridinyl]-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
CID 78881838
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 56824519
5-chloro-1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 55870765
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
CID 51105393
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine (CID 51105107) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine is COc1c(CNCc2ccc(N3CCCCC3)nc2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine?
The InChIKey is JNRTWTJCELIXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-16(18(24-3)22(2)21-14)13-19-11-15-7-8-17(20-12-15)23-9-5-4-6-10-23/h7-8,12,19H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine has a molecular weight of 329.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 51105107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).