5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C14H13BrClN3O2 — CID 139387089

IUPAC5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccncc2)c(Cl)cc(Br)c1=O
InChIInChI=1S/C14H13BrClN3O2/c1-2-19-12(11(16)7-10(15)14(19)21)13(20)18-8-9-3-5-17-6-4-9/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyGLEHGXVZIUBDAD-UHFFFAOYSA-N
MW370.63 g/mol
LogP2.61
Rot. Bonds4

About 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 139387089) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID139387089
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC Name5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccncc2)c(Cl)cc(Br)c1=O
InChIInChI=1S/C14H13BrClN3O2/c1-2-19-12(11(16)7-10(15)14(19)21)13(20)18-8-9-3-5-17-6-4-9/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyGLEHGXVZIUBDAD-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110497698
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5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
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4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
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5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
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4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110681696
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 139387089) is 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is CCn1c(C(=O)NCc2ccncc2)c(Cl)cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GLEHGXVZIUBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-2-19-12(11(16)7-10(15)14(19)21)13(20)18-8-9-3-5-17-6-4-9/h3-7H,2,8H2,1H3,(H,18,20).
What are the key properties of 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 370.63 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139387089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).