N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H21N5O2 — CID 32627824

IUPACN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H21N5O2/c23-16(7-10-22-13-18-12-20-22)19-11-14-3-5-15(6-4-14)17(24)21-8-1-2-9-21/h3-6,12-13H,1-2,7-11H2,(H,19,23)
InChIKeyPOKCIAVMZFBHQS-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.22
Rot. Bonds6

About N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 32627824) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID32627824
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H21N5O2/c23-16(7-10-22-13-18-12-20-22)19-11-14-3-5-15(6-4-14)17(24)21-8-1-2-9-21/h3-6,12-13H,1-2,7-11H2,(H,19,23)
InChIKeyPOKCIAVMZFBHQS-UHFFFAOYSA-N
XLogP1.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134012322
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 32854703
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18132515
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
3-pyrazol-1-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 31816779

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 32627824) is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is POKCIAVMZFBHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(7-10-22-13-18-12-20-22)19-11-14-3-5-15(6-4-14)17(24)21-8-1-2-9-21/h3-6,12-13H,1-2,7-11H2,(H,19,23).
What are the key properties of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 327.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 32627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).