4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide

C21H23N5O — CID 50966519

IUPAC4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESCN(Cc1ccc(C(=O)Nc2cccnc2)cc1)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C21H23N5O/c1-26(14-19-11-20(25-24-19)16-8-9-16)13-15-4-6-17(7-5-15)21(27)23-18-3-2-10-22-12-18/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyUTVUSHNHVIZTOH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds7

About 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide

4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 50966519) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID50966519
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESCN(Cc1ccc(C(=O)Nc2cccnc2)cc1)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C21H23N5O/c1-26(14-19-11-20(25-24-19)16-8-9-16)13-15-4-6-17(7-5-15)21(27)23-18-3-2-10-22-12-18/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyUTVUSHNHVIZTOH-UHFFFAOYSA-N
XLogP3.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
CID 135118861
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
N-cyclopropyl-4-[[1H-imidazol-5-ylmethyl(methyl)amino]methyl]benzamide
CID 166193454
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide (CID 50966519) is 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide is CN(Cc1ccc(C(=O)Nc2cccnc2)cc1)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is UTVUSHNHVIZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-26(14-19-11-20(25-24-19)16-8-9-16)13-15-4-6-17(7-5-15)21(27)23-18-3-2-10-22-12-18/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50966519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).