N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide

C20H27N5O — CID 118765014

IUPACN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCC1CCN(C2CCCCC2)C1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C20H27N5O/c26-20(17-5-4-8-19(11-17)25-14-22-23-15-25)21-12-16-9-10-24(13-16)18-6-2-1-3-7-18/h4-5,8,11,14-16,18H,1-3,6-7,9-10,12-13H2,(H,21,26)
InChIKeyGXRAWQPDKQUHBH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.65
Rot. Bonds5

About N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 118765014) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID118765014
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCC1CCN(C2CCCCC2)C1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C20H27N5O/c26-20(17-5-4-8-19(11-17)25-14-22-23-15-25)21-12-16-9-10-24(13-16)18-6-2-1-3-7-18/h4-5,8,11,14-16,18H,1-3,6-7,9-10,12-13H2,(H,21,26)
InChIKeyGXRAWQPDKQUHBH-UHFFFAOYSA-N
XLogP2.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 146042664
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
N-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97188851
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide;dihydrochloride
CID 171325641
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 118765014) is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide is O=C(NCC1CCN(C2CCCCC2)C1)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is GXRAWQPDKQUHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(17-5-4-8-19(11-17)25-14-22-23-15-25)21-12-16-9-10-24(13-16)18-6-2-1-3-7-18/h4-5,8,11,14-16,18H,1-3,6-7,9-10,12-13H2,(H,21,26).
What are the key properties of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 118765014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).