N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide

C21H24N6O — CID 95121471

IUPACN-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide
SMILESCCn1cc(NC(=O)c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)nn1
InChIInChI=1S/C21H24N6O/c1-2-27-15-20(24-25-27)23-21(28)17-10-8-16(9-11-17)14-26-13-5-7-19(26)18-6-3-4-12-22-18/h3-4,6,8-12,15,19H,2,5,7,13-14H2,1H3,(H,23,28)/t19-/m1/s1
InChIKeyKLUPIADIUXRKBE-LJQANCHMSA-N
MW376.46 g/mol
LogP3.28
Rot. Bonds6

About N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide

N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide (PubChem CID 95121471) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide
PubChem CID95121471
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide
SMILESCCn1cc(NC(=O)c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)nn1
InChIInChI=1S/C21H24N6O/c1-2-27-15-20(24-25-27)23-21(28)17-10-8-16(9-11-17)14-26-13-5-7-19(26)18-6-3-4-12-22-18/h3-4,6,8-12,15,19H,2,5,7,13-14H2,1H3,(H,23,28)/t19-/m1/s1
InChIKeyKLUPIADIUXRKBE-LJQANCHMSA-N
XLogP3.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
N-methyl-4-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 136517634
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132772107

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide (CID 95121471) is N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide is CCn1cc(NC(=O)c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)nn1.
What is the InChIKey of N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide?
The InChIKey is KLUPIADIUXRKBE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-27-15-20(24-25-27)23-21(28)17-10-8-16(9-11-17)14-26-13-5-7-19(26)18-6-3-4-12-22-18/h3-4,6,8-12,15,19H,2,5,7,13-14H2,1H3,(H,23,28)/t19-/m1/s1.
What are the key properties of N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide?
N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95121471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).