5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine

C25H42N6O — CID 157148390

IUPAC5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(N(CCCN2CCOCC2)CC(C)C)nc1
InChIInChI=1S/C25H42N6O/c1-5-6-10-29(4)20-23-18-27-28-25(23)22-8-9-24(26-17-22)31(19-21(2)3)12-7-11-30-13-15-32-16-14-30/h8-9,17-18,21H,5-7,10-16,19-20H2,1-4H3,(H,27,28)
InChIKeyAKYXQSQNQIKWKV-UHFFFAOYSA-N
MW442.65 g/mol
LogP3.89
Rot. Bonds13

About 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine (PubChem CID 157148390) has the molecular formula C25H42N6O and a molecular weight of 442.65 g/mol. Its IUPAC name is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
PubChem CID157148390
Molecular FormulaC25H42N6O
Molecular Weight442.65 g/mol
Exact Mass442.34
IUPAC Name5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(N(CCCN2CCOCC2)CC(C)C)nc1
InChIInChI=1S/C25H42N6O/c1-5-6-10-29(4)20-23-18-27-28-25(23)22-8-9-24(26-17-22)31(19-21(2)3)12-7-11-30-13-15-32-16-14-30/h8-9,17-18,21H,5-7,10-16,19-20H2,1-4H3,(H,27,28)
InChIKeyAKYXQSQNQIKWKV-UHFFFAOYSA-N
XLogP3.89
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine (CID 157148390) is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(N(CCCN2CCOCC2)CC(C)C)nc1.
What is the InChIKey of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The InChIKey is AKYXQSQNQIKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N6O/c1-5-6-10-29(4)20-23-18-27-28-25(23)22-8-9-24(26-17-22)31(19-21(2)3)12-7-11-30-13-15-32-16-14-30/h8-9,17-18,21H,5-7,10-16,19-20H2,1-4H3,(H,27,28).
What are the key properties of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine has a molecular weight of 442.65 g/mol, XLogP of 3.89, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 157148390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).