3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C18H18ClN5O — CID 166581224

IUPAC3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCCc1c(NC(=O)CCc2ccc(Cl)nc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H18ClN5O/c1-2-14-17(13-7-9-20-10-8-13)23-24-18(14)22-16(25)6-4-12-3-5-15(19)21-11-12/h3,5,7-11H,2,4,6H2,1H3,(H2,22,23,24,25)
InChIKeyDFANEBMYSSENEB-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.65
Rot. Bonds6

About 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 166581224) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID166581224
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCCc1c(NC(=O)CCc2ccc(Cl)nc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H18ClN5O/c1-2-14-17(13-7-9-20-10-8-13)23-24-18(14)22-16(25)6-4-12-3-5-15(19)21-11-12/h3,5,7-11H,2,4,6H2,1H3,(H2,22,23,24,25)
InChIKeyDFANEBMYSSENEB-UHFFFAOYSA-N
XLogP3.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 166581224) is 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is CCc1c(NC(=O)CCc2ccc(Cl)nc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is DFANEBMYSSENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-2-14-17(13-7-9-20-10-8-13)23-24-18(14)22-16(25)6-4-12-3-5-15(19)21-11-12/h3,5,7-11H,2,4,6H2,1H3,(H2,22,23,24,25).
What are the key properties of 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 355.83 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 166581224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).