N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine

C19H23N5O — CID 154840009

IUPACN-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CNc2cn[nH]c2-c2ccccc2)cn1
InChIInChI=1S/C19H23N5O/c1-24(10-11-25-2)18-9-8-15(13-21-18)12-20-17-14-22-23-19(17)16-6-4-3-5-7-16/h3-9,13-14,20H,10-12H2,1-2H3,(H,22,23)
InChIKeyBSMOPTYGFSQSKK-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.17
Rot. Bonds8

About N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine

N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine (PubChem CID 154840009) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine
PubChem CID154840009
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CNc2cn[nH]c2-c2ccccc2)cn1
InChIInChI=1S/C19H23N5O/c1-24(10-11-25-2)18-9-8-15(13-21-18)12-20-17-14-22-23-19(17)16-6-4-3-5-7-16/h3-9,13-14,20H,10-12H2,1-2H3,(H,22,23)
InChIKeyBSMOPTYGFSQSKK-UHFFFAOYSA-N
XLogP3.17
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine (CID 154840009) is N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine is COCCN(C)c1ccc(CNc2cn[nH]c2-c2ccccc2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine?
The InChIKey is BSMOPTYGFSQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24(10-11-25-2)18-9-8-15(13-21-18)12-20-17-14-22-23-19(17)16-6-4-3-5-7-16/h3-9,13-14,20H,10-12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine?
N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 154840009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).