3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide

C14H17Cl2N5O — CID 167934079

IUPAC3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCCc1nncn1CCNC(=O)CCc1c(Cl)cncc1Cl
InChIInChI=1S/C14H17Cl2N5O/c1-2-13-20-19-9-21(13)6-5-18-14(22)4-3-10-11(15)7-17-8-12(10)16/h7-9H,2-6H2,1H3,(H,18,22)
InChIKeyBUIPLASHWYUEGM-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.29
Rot. Bonds7

About 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide

3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide (PubChem CID 167934079) has the molecular formula C14H17Cl2N5O and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide
PubChem CID167934079
Molecular FormulaC14H17Cl2N5O
Molecular Weight342.23 g/mol
Exact Mass341.08
IUPAC Name3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCCc1nncn1CCNC(=O)CCc1c(Cl)cncc1Cl
InChIInChI=1S/C14H17Cl2N5O/c1-2-13-20-19-9-21(13)6-5-18-14(22)4-3-10-11(15)7-17-8-12(10)16/h7-9H,2-6H2,1H3,(H,18,22)
InChIKeyBUIPLASHWYUEGM-UHFFFAOYSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111699183
2-[[ethylamino-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111700955
N-(3-chloro-2-methylphenyl)-3-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111700968
N-(4-chlorophenyl)-4-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111700020
N-(4-chlorophenyl)-4-[[ethylamino-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]butanamide
CID 111699551
N-[2-(diethylamino)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74245822
ethyl 4-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 111699797
N-[2-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111699519
2-[[ethylamino-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111517355
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine
CID 111699895
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111700595
1-[(6-chloro-3-pyridinyl)methyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111699820

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide (CID 167934079) is 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide is CCc1nncn1CCNC(=O)CCc1c(Cl)cncc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide?
The InChIKey is BUIPLASHWYUEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O/c1-2-13-20-19-9-21(13)6-5-18-14(22)4-3-10-11(15)7-17-8-12(10)16/h7-9H,2-6H2,1H3,(H,18,22).
What are the key properties of 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide?
3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-pyridinyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 167934079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).