N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide

C18H25N5O — CID 95214370

IUPACN-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)CN1CC[C@H](CNC(=O)c2ccccc2-n2cncn2)C1
InChIInChI=1S/C18H25N5O/c1-14(2)10-22-8-7-15(11-22)9-20-18(24)16-5-3-4-6-17(16)23-13-19-12-21-23/h3-6,12-15H,7-11H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyRWYVZRGYCHQKEH-OAHLLOKOSA-N
MW327.43 g/mol
LogP1.98
Rot. Bonds6

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

N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 95214370) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID95214370
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)CN1CC[C@H](CNC(=O)c2ccccc2-n2cncn2)C1
InChIInChI=1S/C18H25N5O/c1-14(2)10-22-8-7-15(11-22)9-20-18(24)16-5-3-4-6-17(16)23-13-19-12-21-23/h3-6,12-15H,7-11H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyRWYVZRGYCHQKEH-OAHLLOKOSA-N
XLogP1.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2-(1,2,4-triazol-1-yl)benzamide
CID 72845601
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 95193246
2-[5-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-2-pyridinyl]benzoic acid
CID 95527694
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56720822
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 95227489

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 95214370) is N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide is CC(C)CN1CC[C@H](CNC(=O)c2ccccc2-n2cncn2)C1.
What is the InChIKey of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is RWYVZRGYCHQKEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)10-22-8-7-15(11-22)9-20-18(24)16-5-3-4-6-17(16)23-13-19-12-21-23/h3-6,12-15H,7-11H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 95214370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).