N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C17H25N5O — CID 118782931

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCc1cc(C(C)(C)C)n[nH]1)Cc1cccnc1
InChIInChI=1S/C17H25N5O/c1-17(2,3)15-8-14(20-21-15)10-19-16(23)12-22(4)11-13-6-5-7-18-9-13/h5-9H,10-12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyFOUPMZXKLTYMGS-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.85
Rot. Bonds6

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 118782931) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID118782931
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCc1cc(C(C)(C)C)n[nH]1)Cc1cccnc1
InChIInChI=1S/C17H25N5O/c1-17(2,3)15-8-14(20-21-15)10-19-16(23)12-22(4)11-13-6-5-7-18-9-13/h5-9H,10-12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyFOUPMZXKLTYMGS-UHFFFAOYSA-N
XLogP1.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide
CID 45186541
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 91762097
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
CID 131897637
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 136607663
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 118782931) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN(CC(=O)NCc1cc(C(C)(C)C)n[nH]1)Cc1cccnc1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is FOUPMZXKLTYMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)15-8-14(20-21-15)10-19-16(23)12-22(4)11-13-6-5-7-18-9-13/h5-9H,10-12H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 118782931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).