N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide

C21H24N4O — CID 95197391

IUPACN-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
SMILESC[C@H]1CCCN1Cc1cccc(C(=O)Nc2nn(C)c3ccccc23)c1
InChIInChI=1S/C21H24N4O/c1-15-7-6-12-25(15)14-16-8-5-9-17(13-16)21(26)22-20-18-10-3-4-11-19(18)24(2)23-20/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,23,26)/t15-/m0/s1
InChIKeyVUXZGBIXGBWHPT-HNNXBMFYSA-N
MW348.45 g/mol
LogP3.81
Rot. Bonds4

About N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide

N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide (PubChem CID 95197391) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
PubChem CID95197391
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
SMILESC[C@H]1CCCN1Cc1cccc(C(=O)Nc2nn(C)c3ccccc23)c1
InChIInChI=1S/C21H24N4O/c1-15-7-6-12-25(15)14-16-8-5-9-17(13-16)21(26)22-20-18-10-3-4-11-19(18)24(2)23-20/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,23,26)/t15-/m0/s1
InChIKeyVUXZGBIXGBWHPT-HNNXBMFYSA-N
XLogP3.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56705563
3-[[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]methyl]benzoic acid
CID 122030312
N-pyridin-3-yl-3-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide
CID 50955383
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
CID 121278103
3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide
CID 147034759
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide
CID 56706416
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029033
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide (CID 95197391) is N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide is C[C@H]1CCCN1Cc1cccc(C(=O)Nc2nn(C)c3ccccc23)c1.
What is the InChIKey of N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The InChIKey is VUXZGBIXGBWHPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-7-6-12-25(15)14-16-8-5-9-17(13-16)21(26)22-20-18-10-3-4-11-19(18)24(2)23-20/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,23,26)/t15-/m0/s1.
What are the key properties of N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95197391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).