N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine

C18H27N5O — CID 51105328

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2cccnc2N2CCCCC2)c(C)nn1C
InChIInChI=1S/C18H27N5O/c1-14-16(18(24-3)22(2)21-14)13-19-12-15-8-7-9-20-17(15)23-10-5-4-6-11-23/h7-9,19H,4-6,10-13H2,1-3H3
InChIKeyPGXMZMIKBWZUHF-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.41
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine (PubChem CID 51105328) 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-(2-piperidin-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
PubChem CID51105328
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2cccnc2N2CCCCC2)c(C)nn1C
InChIInChI=1S/C18H27N5O/c1-14-16(18(24-3)22(2)21-14)13-19-12-15-8-7-9-20-17(15)23-10-5-4-6-11-23/h7-9,19H,4-6,10-13H2,1-3H3
InChIKeyPGXMZMIKBWZUHF-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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine (CID 51105328) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine is COc1c(CNCc2cccnc2N2CCCCC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
The InChIKey is PGXMZMIKBWZUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-16(18(24-3)22(2)21-14)13-19-12-15-8-7-9-20-17(15)23-10-5-4-6-11-23/h7-9,19H,4-6,10-13H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-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-(2-piperidin-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 51105328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).