2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide

C15H18ClN7O2 — CID 154858669

IUPAC2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESNC(=O)NC1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1
InChIInChI=1S/C15H18ClN7O2/c16-10-1-2-13(23-9-18-8-19-23)12(5-10)21-14(24)7-22-4-3-11(6-22)20-15(17)25/h1-2,5,8-9,11H,3-4,6-7H2,(H,21,24)(H3,17,20,25)
InChIKeyJUDSSZQPVXZCEZ-UHFFFAOYSA-N
MW363.81 g/mol
LogP0.60
Rot. Bonds5

About 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide

2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 154858669) has the molecular formula C15H18ClN7O2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID154858669
Molecular FormulaC15H18ClN7O2
Molecular Weight363.81 g/mol
Exact Mass363.12
IUPAC Name2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESNC(=O)NC1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1
InChIInChI=1S/C15H18ClN7O2/c16-10-1-2-13(23-9-18-8-19-23)12(5-10)21-14(24)7-22-4-3-11(6-22)20-15(17)25/h1-2,5,8-9,11H,3-4,6-7H2,(H,21,24)(H3,17,20,25)
InChIKeyJUDSSZQPVXZCEZ-UHFFFAOYSA-N
XLogP0.60
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 40952874
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9116505
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897148
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78828711
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 8686385
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583209
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43001142
2-[4-(propan-2-ylamino)piperidin-1-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 56542806
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618090
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 154858669) is 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is NC(=O)NC1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1.
What is the InChIKey of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is JUDSSZQPVXZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O2/c16-10-1-2-13(23-9-18-8-19-23)12(5-10)21-14(24)7-22-4-3-11(6-22)20-15(17)25/h1-2,5,8-9,11H,3-4,6-7H2,(H,21,24)(H3,17,20,25).
What are the key properties of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 363.81 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 154858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).