N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide

C17H24N4O — CID 131929356

IUPACN-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCCCN(Cc1cccnc1)C(=O)C(C)n1cc(C)cn1
InChIInChI=1S/C17H24N4O/c1-4-5-9-20(13-16-7-6-8-18-11-16)17(22)15(3)21-12-14(2)10-19-21/h6-8,10-12,15H,4-5,9,13H2,1-3H3
InChIKeyIXWZCDUETWJPLU-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.98
Rot. Bonds7

About N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide

N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 131929356) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID131929356
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCCCN(Cc1cccnc1)C(=O)C(C)n1cc(C)cn1
InChIInChI=1S/C17H24N4O/c1-4-5-9-20(13-16-7-6-8-18-11-16)17(22)15(3)21-12-14(2)10-19-21/h6-8,10-12,15H,4-5,9,13H2,1-3H3
InChIKeyIXWZCDUETWJPLU-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-methoxyethyl)-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 124505741
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
[(2S)-3-methyl-1-oxo-1-[pent-4-enyl(pyridin-3-ylmethyl)amino]butan-2-yl]carbamic acid
CID 70247516
2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide
CID 131913983
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
3-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62851804
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
2-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide
CID 54873824

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 131929356) is N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide is CCCCN(Cc1cccnc1)C(=O)C(C)n1cc(C)cn1.
What is the InChIKey of N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IXWZCDUETWJPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-5-9-20(13-16-7-6-8-18-11-16)17(22)15(3)21-12-14(2)10-19-21/h6-8,10-12,15H,4-5,9,13H2,1-3H3.
What are the key properties of N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 300.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 131929356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).